A0A077ZL38_TRITR Loading...

Piwi and PAZ and DUF1785 domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZL38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 750 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	34.6	Very low	250 Å²	250	127.5 Å²	127.5	100%	1.232	80%	0.796	S	S	*	*				0	105	0	-78.5	179.3	-171.3	0	0	108.8
2	A	36.6	Very low	35.4	Very low	92 Å²	92	122.3 Å²	122.3	76%	0.76	76%	0.758	S	S	*	*			trans	-174.3	74.3	154.5	0	0	0	0	0	105.1	I4	A2-I4 PolarHBondContact O-N 2.84Å; A2-I4 VanDerWaalsContact O-N 3.16Å
3	S	32.8	Very low	36.2	Very low	115 Å²	115	121 Å²	121	80%	0.804	76%	0.757	S	S	*	*			trans	-62.4	110.2	160.5	50.3	0	0	0	0	106.1	S5	S3-S5 PolarHBondContact O-N 3.17Å
4	I	39.8	Very low	37.4	Very low	167 Å²	167	125.3 Å²	125.3	86%	0.856	76%	0.763	S	S	*	*			trans	-69.5	92.7	170.9	-60.3	174	0	0	0	105.5	A2	A2-I4 PolarHBondContact O-N 2.84Å; A2-I4 VanDerWaalsContact O-N 3.16Å
5	S	33.3	Very low	39.1	Very low	102 Å²	102	120.3 Å²	120.3	71%	0.713	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-54.6	130.6	166.2	46.6	0	0	0	0	108.7	S3 D7	S3-S5 PolarHBondContact O-N 3.17Å; S5-D7 PolarHBondContact O-N 3.08Å
6	G	29.7	Very low	40.6	Very low	77 Å²	77	119.2 Å²	119.2	79%	0.794	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-52.9	126.3	-176.4	0	0	0	0	0	112.7
7	D	33.9	Very low	42.3	Very low	142 Å²	142	118.3 Å²	118.3	76%	0.759	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-82.4	130.9	167.9	-145.2	5.4	0	0	0	107.6	S5 L9	S5-D7 PolarHBondContact O-N 3.08Å; D7-L9 PolarHBondContact O-N 3.35Å
8	P	31.2	Very low	43.9	Very low	118 Å²	118	116.9 Å²	116.9	77%	0.766	71%	0.714	S	S	*	*			trans	-79.1	72.9	-177.7	34.2	-30.9	0	0	0	108.4	S10	P8-S10 PolarHBondContact O-N 3.36Å
9	L	36.3	Very low	45.2	Very low	141 Å²	141	114.9 Å²	114.9	74%	0.738	71%	0.711	S	S	*	*			trans	-63.5	99	156.7	-77	158.9	0	0	0	105.1	D7 P11	D7-L9 PolarHBondContact O-N 3.35Å; L9-P11 VanDerWaalsContact O-N 3.13Å
10	S	35	Very low	46.5	Very low	89 Å²	89	112 Å²	112	62%	0.622	69%	0.686	S	S	*	*			trans	-41.5	128.3	159.2	59.1	0	0	0	0	106.3	P8 L12	P8-S10 PolarHBondContact O-N 3.36Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 3.33Å
11	P	39.7	Very low	47.9	Very low	109 Å²	109	112.1 Å²	112.1	71%	0.708	69%	0.689	S	S	*	*			trans	-57.3	111.3	177.5	17.6	-20.9	0	0	0	103.6	L9 S13	L9-P11 VanDerWaalsContact O-N 3.13Å; P11-S13 PolarHBondContact O-N 2.82Å
12	L	43.7	Very low	50.3	Low	65 Å²	65	106 Å²	106	34%	0.34	66%	0.661	S	S	.	*			trans	-54.6	86.7	166.7	-85.3	149.9	0	0	0	103.6	S10 E14 R684	S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 3.33Å; L12-E14 PolarHBondContact O-N 2.93Å; L12-E14 VanDerWaalsContact O-N 3.13Å; L12-R684 HydrophobicContact CD1-CG 4.44Å; L12-R684 PolarHBondContact O-NH2 2.92Å
13	S	46	Very low	52.7	Low	106 Å²	106	106.3 Å²	106.3	74%	0.741	64%	0.643	S	S	*	*			trans	-53.4	114.6	173.7	48.6	0	0	0	0	103.2	P11 I15	P11-S13 PolarHBondContact O-N 2.82Å; S13-I15 PolarHBondContact O-N 2.92Å
14	E	53.1	Low	55.3	Low	181 Å²	181	102.5 Å²	102.5	85%	0.846	62%	0.622	S	S	*	*			trans	17.2	99.3	175.2	-67.9	173.6	170.2	0	0	113.4	L12 S16	L12-E14 PolarHBondContact O-N 2.93Å; L12-E14 VanDerWaalsContact O-N 3.13Å; E14-S16 PolarHBondContact O-N 2.73Å
15	I	62.6	Low	57.8	Low	51 Å²	51	99.2 Å²	99.2	26%	0.262	62%	0.62	S	S	.	*			trans	-58.5	97.4	162.8	-64.5	164.7	0	0	0	105.2	S13 L17 L683 R684 L687	S13-I15 PolarHBondContact O-N 2.92Å; I15-L17 PolarHBondContact O-N 2.94Å; I15-L683 HydrophobicContact CG2-CD2 3.93Å; I15-L683 HydrophobicContact CG2-CG 4.49Å; I15-R684 HydrophobicContact CD1-CB 4.32Å; I15-R684 HydrophobicContact CD1-CG 4.29Å; I15-L687 HydrophobicContact CD1-CD2 4.23Å; I15-L687 HydrophobicContact CG2-CD2 4.31Å
16	S	63.6	Low	60.6	Low	102 Å²	102	101.2 Å²	101.2	71%	0.713	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-64.7	117.4	177.5	59.8	0	0	0	0	106.5	E14 S18	E14-S16 PolarHBondContact O-N 2.73Å; S16-S18 PolarHBondContact O-N 2.6Å
17	L	69.9	Low	63.7	Low	104 Å²	104	99.1 Å²	99.1	55%	0.545	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-61.4	134.1	169.4	-63.1	175.5	0	0	0	107.2	I15 A19 L683	I15-L17 PolarHBondContact O-N 2.94Å; L17-A19 PolarHBondContact O-N 3.39Å; L17-A19 VanDerWaalsContact O-N 3.16Å; L17-L683 HydrophobicContact CD2-CD2 3.55Å
18	S	70.1	Confident	66.7	Low	93 Å²	93	98 Å²	98	65%	0.65	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-58.4	123.8	171.4	-59.5	0	0	0	0	107.7	S16 Y749	S16-S18 PolarHBondContact O-N 2.6Å; S18-Y749 WeakPolarHBondContact O-CE2 3.44Å
19	A	69.5	Low	69.8	Low	80 Å²	80	100.4 Å²	100.4	66%	0.661	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-65.9	151.7	169.2	0	0	0	0	0	109.4	L17 P21 Y749	L17-A19 PolarHBondContact O-N 3.39Å; L17-A19 VanDerWaalsContact O-N 3.16Å; A19-P21 WeakPolarHBondContact O-CD 3.37Å; A19-Y749 PolarHBondContact O-OH 2.88Å
20	R	70.5	Confident	72.7	Confident	56 Å²	56	93.8 Å²	93.8	21%	0.211	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-63.3	117.7	170.1	-178.2	-178.3	-76.5	-178.6	-7.8	108.6	D22 D740 Y749 D750	R20-D22 WeakPolarHBondContact CG-O 3.42Å; R20-D740 PolarHBondContact NH1-O 3.36Å; R20-Y749 WeakPolarHBondContact CA-OH 3.39Å; R20-Y749 HydrophobicContact CB-CD1 4.32Å; R20-Y749 HydrophobicContact CB-CE1 4.01Å; R20-Y749 HydrophobicContact CG-CD1 4.24Å; R20-Y749 HydrophobicContact CG-CE1 4Å; R20-Y749 VanDerWaalsContact NH2-C 3.27Å; R20-Y749 PolarHBondContact NH2-O 3.4Å; R20-D750 PolarHBondContact NH2-O 3Å
21	P	76.6	Confident	75.7	Confident	115 Å²	115	95.3 Å²	95.3	75%	0.747	55%	0.546	S	S	*	.			trans	-73.6	-35.1	-175.3	28.5	-36	0	0	0	112.4	A19 Y749	A19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-Y749 WeakPolarHBondContact CD-OH 3.3Å
22	D	83.2	Confident	78.5	Confident	121 Å²	121	90.1 Å²	90.1	65%	0.647	51%	0.512	S	S	*	.	S	Bend	trans	-167.6	176.3	-179.7	-157.4	-7.8	0	0	0	109.5	R20	R20-D22 WeakPolarHBondContact CG-O 3.42Å
23	Y	86.3	Confident	81	Confident	98 Å²	98	87.9 Å²	87.9	38%	0.384	50%	0.501	S	S	.	.			trans	-80.4	152.9	171.4	-58.2	-77.7	0	0	0	112	E218 D740 H741	Y23-E218 WeakPolarHBondContact CE1-OE1 3.45Å; Y23-E218 PolarHBondContact OH-OE1 3.11Å; Y23-D740 VanDerWaalsContact CD1-O 3.32Å; Y23-D740 WeakPolarHBondContact CD1-O 3.47Å; Y23-D740 VanDerWaalsContact CE1-O 3.28Å; Y23-D740 WeakPolarHBondContact CE1-O 3.43Å; Y23-H741 AromaticContact CD1-CD2 3.54Å; Y23-H741 AromaticContact CD1-CE1 3.33Å; Y23-H741 WeakPolarHBondContact CD1-CE1 3.21Å; Y23-H741 AromaticContact CD1-CG 3.9Å; Y23-H741 AromaticContact CD1-ND1 3.77Å; Y23-H741 AromaticContact CD1-NE2 3.23Å; Y23-H741 WeakPolarHBondContact CD1-NE2 3.3Å; Y23-H741 AromaticContact CD2-NE2 3.81Å; Y23-H741 AromaticContact CE1-CD2 3.49Å; Y23-H741 VanDerWaalsContact CE1-CD2 3.49Å; Y23-H741 WeakPolarHBondContact CE1-CD2 3.47Å; Y23-H741 AromaticContact CE1-CG 3.93Å; Y23-H741 AromaticContact CE1-NE2 3.67Å; Y23-H741 AromaticContact CG-CE1 3.55Å; Y23-H741 AromaticContact CG-NE2 3.28Å; Y23-H741 VanDerWaalsContact CG-NE2 3.28Å; Y23-H741 AromaticContact CZ-CD2 3.94Å
24	G	87.2	Confident	83.5	Confident	35 Å²	35	82.9 Å²	82.9	36%	0.361	47%	0.466	S	S	.	.			trans	-72	142.7	174.3	0	0	0	0	0	111.4	R406 D740	G24-R406 PolarHBondContact O-NE 3.09Å; G24-R406 PolarHBondContact O-NH1 2.69Å; G24-R406 PolarHBondContact O-NH2 3.28Å; G24-D740 PolarHBondContact N-OD2 3.35Å
25	A	91.7	Very high	85.6	Confident	99 Å²	99	74.4 Å²	74.4	82%	0.818	43%	0.426	S	S	*	.			trans	-105.3	-13.4	177.1	0	0	0	0	0	114.3
26	K	92.7	Very high	87.2	Confident	143 Å²	143	72.4 Å²	72.4	62%	0.622	42%	0.416	S	S	*	.			trans	-79.3	149.8	-174	-68.1	-171.6	178.6	-177.9	0	113.1	R406 L408	K26-R406 WeakPolarHBondContact O-CD 3.29Å; K26-R406 PolarHBondContact O-NH1 2.92Å; K26-L408 HydrophobicContact CB-CD2 4.1Å; K26-L408 WeakPolarHBondContact O-CD2 3.4Å
27	G	95.5	Very high	88.8	Confident	34 Å²	34	67.7 Å²	67.7	35%	0.351	38%	0.383	S	S	.	.	S	Bend	trans	95.7	166.1	174.7	0	0	0	0	0	113.8	V407	G27-V407 CarbonylContact C-O 3.55Å; G27-V407 WeakPolarHBondContact CA-O 3.42Å
28	E	96.4	Very high	90	Very high	119 Å²	119	66.6 Å²	66.6	56%	0.556	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.1	-178.4	-168.5	-163.1	155.7	0	0	110	I30 R406 V407 R725	E28-I30 PolarHBondContact O-N 3.07Å; E28-R406 CarbonylContact O-C 3.56Å; E28-R406 VanDerWaalsContact O-CA 3.26Å; E28-R406 WeakPolarHBondContact O-CA 3.28Å; E28-V407 PolarHBondContact N-O 3.47Å; E28-V407 PolarHBondContact O-N 3.31Å; E28-R725 IonicContact OE1-CZ 2.65Å; E28-R725 IonicContact OE1-NE 3.27Å; E28-R725 IonicContact OE1-NH1 2.76Å; E28-R725 PolarHBondContact OE1-NH1 2.98Å; E28-R725 IonicContact OE1-NH2 3.66Å; E28-R725 PolarHBondContact OE1-NH2 3.23Å; E28-R725 IonicContact OE2-CZ 3.36Å; E28-R725 IonicContact OE2-NH2 3.62Å; E28-R725 PolarHBondContact OE2-NH2 3.49Å
29	K	96.9	Very high	91.1	Very high	167 Å²	167	62.7 Å²	62.7	73%	0.726	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	137.5	177.9	-65.9	-176.1	-179.7	-179	0	110.7	G405 R725	K29-G405 WeakPolarHBondContact CA-O 3.25Å; K29-R725 PolarHBondContact O-NH1 3.44Å
30	I	97.1	Very high	92.2	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.9	174.7	-171.2	166.5	0	0	0	109.6	E28 L32 G405 V407 R725 P734 T737	E28-I30 PolarHBondContact O-N 3.07Å; I30-L32 HydrophobicContact CD1-CD2 3.99Å; I30-L32 HydrophobicContact CG1-CD2 3.94Å; I30-L32 HydrophobicContact CG2-CD1 4.47Å; I30-L32 HydrophobicContact CG2-CD2 4.33Å; I30-L32 HydrophobicContact CG2-CG 4.32Å; I30-G405 PolarHBondContact N-O 3.17Å; I30-G405 CarbonylContact O-C 3.53Å; I30-G405 PolarHBondContact O-N 3.17Å; I30-G405 VanDerWaalsContact O-O 3.09Å; I30-V407 HydrophobicContact CB-CG2 4.26Å; I30-V407 HydrophobicContact CD1-CG2 4.2Å; I30-V407 HydrophobicContact CG2-CG2 4.01Å; I30-R725 VanDerWaalsContact CB-NH1 3.35Å; I30-R725 HydrophobicContact CD1-CB 4.24Å; I30-P734 HydrophobicContact CD1-CG 4.15Å; I30-T737 HydrophobicContact CG2-CG2 4.34Å
31	H	97.8	Very high	93.1	Very high	121 Å²	121	64.3 Å²	64.3	56%	0.56	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.3	175.2	-66.3	-74.4	0	0	0	109.9	K721	H31-K721 HydrophobicContact CB-CB 4.16Å; H31-K721 HydrophobicContact CB-CD 4.41Å; H31-K721 WeakPolarHBondContact O-CB 3.47Å; H31-K721 PolarHBondContact O-N 3.01Å
32	L	97.9	Very high	93.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155.5	-175.1	-54.7	173.5	0	0	0	110.3	I30 E402 V403 F718 M719 M733 T737 I739	I30-L32 HydrophobicContact CD1-CD2 3.99Å; I30-L32 HydrophobicContact CG1-CD2 3.94Å; I30-L32 HydrophobicContact CG2-CD1 4.47Å; I30-L32 HydrophobicContact CG2-CD2 4.33Å; I30-L32 HydrophobicContact CG2-CG 4.32Å; L32-E402 WeakPolarHBondContact O-CA 3.31Å; L32-V403 PolarHBondContact N-O 3.38Å; L32-V403 PolarHBondContact O-N 3.17Å; L32-F718 HydrophobicContact CD1-CB 4.44Å; L32-M719 CarbonylContact C-O 3.48Å; L32-M719 VanDerWaalsContact CA-O 3.23Å; L32-M719 WeakPolarHBondContact CA-O 3.44Å; L32-M733 HydrophobicContact CD2-CB 4.47Å; L32-T737 HydrophobicContact CD1-CG2 3.7Å; L32-I739 HydrophobicContact CD1-CD1 3.45Å; L32-I739 VanDerWaalsContact CD1-CD1 3.45Å; L32-I739 HydrophobicContact CD1-CG1 3.68Å
33	V	97.4	Very high	93.8	Very high	18 Å²	18	60.5 Å²	60.5	11%	0.109	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.8	166	-175.6	0	0	0	0	107	L371 Y400 F718 M719 K721	V33-L371 HydrophobicContact CG1-CD2 3.87Å; V33-Y400 HydrophobicContact CG1-CG 4.46Å; V33-F718 WeakPolarHBondContact O-CA 3.37Å; V33-M719 HydrophobicContact CB-CE 3.89Å; V33-M719 HydrophobicContact CB-CG 3.86Å; V33-M719 HydrophobicContact CG1-CE 4.14Å; V33-M719 HydrophobicContact CG2-CE 4.16Å; V33-M719 PolarHBondContact N-O 3.33Å; V33-M719 PolarHBondContact O-N 3.31Å; V33-K721 HydrophobicContact CG2-CB 4.07Å; V33-K721 HydrophobicContact CG2-CG 4.26Å
34	S	97.2	Very high	93.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	173.1	176.5	75.5	0	0	0	0	111.2	F36 Y400 V401 R717	S34-F36 VanDerWaalsContact C-N 3.29Å; S34-F36 PolarHBondContact OG-N 3.39Å; S34-Y400 VanDerWaalsContact O-CB 3.25Å; S34-Y400 WeakPolarHBondContact O-CB 3.25Å; S34-V401 WeakPolarHBondContact CB-O 3.47Å; S34-V401 PolarHBondContact N-O 2.59Å; S34-V401 PolarHBondContact OG-O 3.27Å; S34-R717 CarbonylContact C-O 3.54Å; S34-R717 WeakPolarHBondContact CA-O 3.42Å
35	N	97.1	Very high	93.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.011	34%	0.341	C	S	.	.	S	Bend	trans	-95.3	22.9	168.7	71.5	-36.3	0	0	0	113.1	N225 I226 L371 H715 R717	N35-N225 PolarHBondContact ND2-OD1 3.44Å; N35-I226 VanDerWaalsContact CB-O 3.3Å; N35-I226 WeakPolarHBondContact CB-O 3.3Å; N35-I226 PolarHBondContact ND2-O 3.35Å; N35-I226 PolarHBondContact O-N 2.92Å; N35-L371 HydrophobicContact CB-CD1 3.91Å; N35-H715 PolarHBondContact ND2-O 3.43Å; N35-R717 HydrophobicContact CB-CB 4.33Å; N35-R717 PolarHBondContact N-O 2.94Å; N35-R717 VanDerWaalsContact N-O 3.08Å; N35-R717 PolarHBondContact OD1-N 3.1Å; N35-R717 PolarHBondContact OD1-O 2.65Å
36	F	97.6	Very high	93	Very high	10 Å²	10	61.1 Å²	61.1	4%	0.044	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	149.3	172.9	-67.6	-101.2	0	0	0	110.9	S34 R215 L223 V224 N225 Y400 V401 A716 V743	S34-F36 VanDerWaalsContact C-N 3.29Å; S34-F36 PolarHBondContact OG-N 3.39Å; F36-R215 HydrophobicContact CE1-CB 4.07Å; F36-R215 HydrophobicContact CE1-CG 3.98Å; F36-L223 HydrophobicContact CD1-CB 3.97Å; F36-L223 HydrophobicContact CD1-CD1 4.05Å; F36-V224 CarbonylContact C-O 3.49Å; F36-V224 WeakPolarHBondContact CA-O 3.11Å; F36-N225 HydrophobicContact CD1-CB 3.82Å; F36-N225 HydrophobicContact CE1-CB 3.67Å; F36-N225 HydrophobicContact CZ-CB 4.24Å; F36-Y400 CarbonylContact O-C 3.59Å; F36-Y400 WeakPolarHBondContact O-CA 3.29Å; F36-V401 HydrophobicContact CB-CB 4.34Å; F36-V401 HydrophobicContact CB-CG2 4.22Å; F36-V401 PolarHBondContact O-N 3.36Å; F36-A716 HydrophobicContact CE2-CB 3.61Å; F36-A716 HydrophobicContact CZ-CB 3.85Å; F36-V743 HydrophobicContact CB-CG1 4.16Å; F36-V743 HydrophobicContact CD2-CB 4.05Å; F36-V743 HydrophobicContact CD2-CG1 3.9Å; F36-V743 HydrophobicContact CE2-CB 4.04Å; F36-V743 HydrophobicContact CE2-CG1 4.41Å; F36-V743 HydrophobicContact CE2-CG2 4.35Å; F36-V743 HydrophobicContact CG-CB 4.39Å; F36-V743 HydrophobicContact CG-CG1 4.03Å; F36-V743 HydrophobicContact CZ-CB 4.38Å
37	L	96.3	Very high	92.8	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150	167.8	-60.4	171.4	0	0	0	108.7	L223 V224 I226 M378 I396 A397 T399 Y400	L37-L223 CarbonylContact O-C 3.58Å; L37-L223 VanDerWaalsContact O-CA 3.29Å; L37-L223 WeakPolarHBondContact O-CA 3.24Å; L37-V224 PolarHBondContact N-O 3.3Å; L37-V224 PolarHBondContact O-N 2.85Å; L37-I226 HydrophobicContact CD1-CD1 3.54Å; L37-I226 HydrophobicContact CG-CD1 4.47Å; L37-M378 HydrophobicContact CD1-CE 4.12Å; L37-M378 HydrophobicContact CD1-SD 3.48Å; L37-M378 WeakPolarHBondContact CD1-SD 3.31Å; L37-I396 HydrophobicContact CB-CG2 3.58Å; L37-I396 HydrophobicContact CD1-CG2 3.45Å; L37-I396 VanDerWaalsContact CD1-CG2 3.45Å; L37-I396 HydrophobicContact CG-CG2 4.14Å; L37-A397 HydrophobicContact CB-CB 4.46Å; L37-T399 VanDerWaalsContact CD2-C 3.49Å; L37-T399 VanDerWaalsContact CD2-O 3.27Å; L37-T399 WeakPolarHBondContact CD2-O 3.19Å; L37-Y400 HydrophobicContact CD2-CD1 3.67Å; L37-Y400 HydrophobicContact CD2-CE1 4.08Å; L37-Y400 HydrophobicContact CD2-CG 4.16Å; L37-Y400 HydrophobicContact CG-CD1 4.19Å; L37-Y400 HydrophobicContact CG-CE1 4.38Å
38	E	94.4	Very high	92.5	Very high	82 Å²	82	57 Å²	57	38%	0.383	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134	169.1	-63.9	-178	167.4	0	0	110.1	L223 A397 V401	E38-L223 HydrophobicContact CG-CD2 4.11Å; E38-A397 HydrophobicContact CB-CB 4.05Å; E38-A397 PolarHBondContact O-N 2.84Å; E38-V401 HydrophobicContact CG-CG2 3.96Å
39	L	94.1	Very high	92.4	Very high	11 Å²	11	51.4 Å²	51.4	6%	0.058	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.1	165.6	-176.4	76.3	0	0	0	107.9	F142 V163 P222 V224 L394 D395 I396	L39-F142 HydrophobicContact CD2-CE1 4.24Å; L39-F142 HydrophobicContact CD2-CZ 3.9Å; L39-F142 HydrophobicContact CG-CE1 4.46Å; L39-F142 HydrophobicContact CG-CZ 4.39Å; L39-V163 HydrophobicContact CD1-CG1 4.4Å; L39-V163 HydrophobicContact CD2-CG1 3.65Å; L39-V163 HydrophobicContact CD2-CG2 4.23Å; L39-P222 HydrophobicContact CB-CB 4.06Å; L39-P222 HydrophobicContact CB-CG 4.48Å; L39-P222 HydrophobicContact CD2-CB 4.28Å; L39-P222 PolarHBondContact N-O 2.85Å; L39-P222 VanDerWaalsContact O-CG 3.25Å; L39-P222 WeakPolarHBondContact O-CG 3.07Å; L39-V224 HydrophobicContact CB-CG2 4.01Å; L39-V224 HydrophobicContact CD1-CG2 3.98Å; L39-L394 HydrophobicContact CD2-CD2 4.38Å; L39-D395 CarbonylContact C-O 3.5Å; L39-I396 HydrophobicContact CD1-CG1 4.27Å
40	K	91.6	Very high	92.3	Very high	91 Å²	91	43.9 Å²	43.9	40%	0.396	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.9	-177.7	-61.6	-177.7	179.2	-174.1	0	110.1	L394 D395	K40-L394 CarbonylContact O-C 3.48Å; K40-L394 WeakPolarHBondContact O-CA 3.4Å; K40-D395 HydrophobicContact CB-CB 4.25Å; K40-D395 PolarHBondContact N-O 2.96Å; K40-D395 PolarHBondContact O-N 3.05Å
41	K	89.8	Confident	92.1	Very high	78 Å²	78	45.9 Å²	45.9	34%	0.339	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.4	165.5	-172.8	-169	177.8	-154.7	0	108.3	T43 S44 G45 I47 F142	K41-T43 WeakPolarHBondContact CE-O 3.35Å; K41-T43 HydrophobicContact CG-CG2 4.2Å; K41-S44 PolarHBondContact NZ-O 3.17Å; K41-S44 VanDerWaalsContact NZ-O 3.1Å; K41-G45 WeakPolarHBondContact CE-O 3.33Å; K41-G45 PolarHBondContact NZ-O 3.45Å; K41-I47 HydrophobicContact CG-CD1 4.02Å; K41-F142 HydrophobicContact CB-CD1 3.89Å; K41-F142 HydrophobicContact CB-CD2 4.34Å; K41-F142 HydrophobicContact CB-CE1 3.91Å; K41-F142 HydrophobicContact CB-CE2 4.33Å; K41-F142 HydrophobicContact CB-CG 4.17Å; K41-F142 HydrophobicContact CB-CZ 4.16Å; K41-F142 HydrophobicContact CD-CD2 4.15Å; K41-F142 HydrophobicContact CD-CG 4.23Å; K41-F142 HydrophobicContact CG-CD2 4.4Å; K41-F142 HydrophobicContact CG-CE2 4.46Å
42	V	88.5	Confident	92.1	Very high	99 Å²	99	40.3 Å²	40.3	60%	0.6	22%	0.224	S	C	*	.			trans	-98.2	-22.5	-178.3	-172.5	0	0	0	0	111.7	G393 D395	V42-G393 PolarHBondContact N-O 3.05Å; V42-D395 HydrophobicContact CG2-CB 3.42Å; V42-D395 VanDerWaalsContact CG2-CB 3.42Å
43	T	87.1	Confident	92	Very high	58 Å²	58	43.6 Å²	43.6	36%	0.356	24%	0.239	S	C	.	.			trans	-85.7	148	175.8	-170.6	0	0	0	0	112.3	K41 I47	K41-T43 WeakPolarHBondContact CE-O 3.35Å; K41-T43 HydrophobicContact CG-CG2 4.2Å; T43-I47 HydrophobicContact CG2-CD1 4.01Å; T43-I47 HydrophobicContact CG2-CG1 3.63Å
44	S	80.5	Confident	92	Very high	123 Å²	123	42.8 Å²	42.8	86%	0.86	23%	0.234	S	C	*	.	S	Bend	trans	-74.1	-39.6	175.9	53	0	0	0	0	112.2	K41	K41-S44 PolarHBondContact NZ-O 3.17Å; K41-S44 VanDerWaalsContact NZ-O 3.1Å
45	G	82.2	Confident	91.9	Very high	34 Å²	34	46.5 Å²	46.5	35%	0.351	25%	0.251	S	S	.	.	S	Bend	trans	-76.9	170.6	-175.4	0	0	0	0	0	115.1	K41	K41-G45 WeakPolarHBondContact CE-O 3.33Å; K41-G45 PolarHBondContact NZ-O 3.45Å
46	L	84.2	Confident	91.9	Very high	88 Å²	88	46.6 Å²	46.6	46%	0.461	25%	0.252	S	S	.	.			trans	-61.7	140	171.2	-176.4	66.5	0	0	0	109.8	E48 R139 I141	L46-E48 HydrophobicContact CB-CG 4.48Å; L46-E48 HydrophobicContact CD2-CG 3.6Å; L46-E48 HydrophobicContact CG-CG 3.85Å; L46-E48 PolarHBondContact O-N 3.38Å; L46-R139 HydrophobicContact CD2-CB 4.4Å; L46-R139 HydrophobicContact CD2-CG 4.03Å; L46-I141 HydrophobicContact CD1-CG1 4.16Å
47	I	88.7	Confident	91.5	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.046	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	106.4	170.9	-61.3	169.2	0	0	0	107.2	K41 T43 V49 I140 F142 F392 L394	K41-I47 HydrophobicContact CG-CD1 4.02Å; T43-I47 HydrophobicContact CG2-CD1 4.01Å; T43-I47 HydrophobicContact CG2-CG1 3.63Å; I47-V49 HydrophobicContact CG2-CG1 4.29Å; I47-I140 HydrophobicContact CB-CB 4.13Å; I47-I140 HydrophobicContact CG2-CB 4.18Å; I47-I140 HydrophobicContact CG2-CD1 3.79Å; I47-I140 HydrophobicContact CG2-CG1 4.1Å; I47-I140 PolarHBondContact O-N 3.29Å; I47-F142 HydrophobicContact CD1-CE2 4.1Å; I47-F392 WeakPolarHBondContact CD1-O 3.32Å; I47-L394 HydrophobicContact CD1-CD2 3.64Å; I47-L394 HydrophobicContact CD1-CG 4.28Å
48	E	90.2	Very high	91.1	Very high	82 Å²	82	53 Å²	53	38%	0.383	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135	171.7	-58.4	-167.2	122.4	0	0	108.7	L46 R139	L46-E48 HydrophobicContact CB-CG 4.48Å; L46-E48 HydrophobicContact CD2-CG 3.6Å; L46-E48 HydrophobicContact CG-CG 3.85Å; L46-E48 PolarHBondContact O-N 3.38Å; E48-R139 HydrophobicContact CG-CG 4.18Å; E48-R139 IonicContact OE1-CZ 3.31Å; E48-R139 VanDerWaalsContact OE1-CZ 3.31Å; E48-R139 IonicContact OE1-NE 2.73Å; E48-R139 PolarHBondContact OE1-NE 3.24Å; E48-R139 IonicContact OE1-NH2 3.02Å; E48-R139 PolarHBondContact OE1-NH2 2.69Å
49	V	93.8	Very high	90.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.2	175.1	-55.8	0	0	0	0	109.5	I47 F98 S99 M137 V138 I140 V162 F392	I47-V49 HydrophobicContact CG2-CG1 4.29Å; V49-F98 HydrophobicContact CG2-CB 4.4Å; V49-F98 HydrophobicContact CG2-CD1 3.81Å; V49-F98 HydrophobicContact CG2-CG 4.44Å; V49-S99 CarbonylContact C-O 3.49Å; V49-S99 WeakPolarHBondContact CA-O 3.31Å; V49-M137 CarbonylContact O-C 3.5Å; V49-M137 WeakPolarHBondContact O-CA 3.27Å; V49-V138 HydrophobicContact CG2-CB 3.8Å; V49-V138 PolarHBondContact N-O 2.84Å; V49-V138 PolarHBondContact O-N 3.26Å; V49-I140 HydrophobicContact CG1-CD1 4.32Å; V49-V162 HydrophobicContact CG1-CG1 4.45Å; V49-V162 HydrophobicContact CG2-CG1 3.91Å; V49-V162 HydrophobicContact CG2-CG2 4.18Å; V49-F392 HydrophobicContact CB-CE1 4.43Å; V49-F392 HydrophobicContact CG1-CD1 3.76Å; V49-F392 HydrophobicContact CG1-CE1 3.57Å
50	V	94	Very high	90	Very high	9 Å²	9	66 Å²	66	6%	0.055	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.1	174.2	-169.3	0	0	0	0	108.5	Y52 F98 S99 P102 K134	V50-Y52 HydrophobicContact CB-CE2 3.63Å; V50-Y52 HydrophobicContact CG1-CD2 4.35Å; V50-Y52 HydrophobicContact CG1-CE1 4.12Å; V50-Y52 HydrophobicContact CG1-CE2 3.52Å; V50-Y52 VanDerWaalsContact CG1-OH 3.3Å; V50-Y52 WeakPolarHBondContact CG1-OH 3.46Å; V50-Y52 WeakPolarHBondContact O-CE2 3.25Å; V50-F98 WeakPolarHBondContact O-CA 3.33Å; V50-S99 PolarHBondContact N-O 3.43Å; V50-S99 PolarHBondContact O-N 2.79Å; V50-P102 HydrophobicContact CG2-CB 4.46Å; V50-P102 HydrophobicContact CG2-CG 4.08Å; V50-K134 HydrophobicContact CG1-CD 4.11Å; V50-K134 HydrophobicContact CG1-CG 3.94Å
51	Q	94.8	Very high	89.6	Confident	45 Å²	45	64.3 Å²	64.3	21%	0.21	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.9	177.4	-172.7	179.2	-31.8	0	0	110.2	F98 S135 G136 V138	Q51-F98 HydrophobicContact CB-CD1 3.93Å; Q51-F98 HydrophobicContact CB-CE1 3.64Å; Q51-F98 HydrophobicContact CG-CD1 4.04Å; Q51-F98 HydrophobicContact CG-CE1 3.41Å; Q51-F98 VanDerWaalsContact CG-CE1 3.41Å; Q51-F98 HydrophobicContact CG-CZ 3.92Å; Q51-S135 WeakPolarHBondContact CG-OG 3.32Å; Q51-S135 PolarHBondContact O-N 3.45Å; Q51-S135 PolarHBondContact O-OG 3.05Å; Q51-G136 PolarHBondContact N-O 3.37Å; Q51-G136 PolarHBondContact O-N 2.81Å; Q51-V138 HydrophobicContact CB-CG2 4.5Å
52	Y	95.8	Very high	89.4	Confident	3 Å²	3	70.4 Å²	70.4	1%	0.012	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.3	174.9	-54.1	-97.3	0	0	0	110.8	V50 L97 S99 P102 L103 M105 I132 N133 K134 S135	V50-Y52 HydrophobicContact CB-CE2 3.63Å; V50-Y52 HydrophobicContact CG1-CD2 4.35Å; V50-Y52 HydrophobicContact CG1-CE1 4.12Å; V50-Y52 HydrophobicContact CG1-CE2 3.52Å; V50-Y52 VanDerWaalsContact CG1-OH 3.3Å; V50-Y52 WeakPolarHBondContact CG1-OH 3.46Å; V50-Y52 WeakPolarHBondContact O-CE2 3.25Å; Y52-L97 HydrophobicContact CD2-CD2 4.25Å; Y52-L97 HydrophobicContact CD2-CG 4.21Å; Y52-L97 HydrophobicContact CG-CD2 4.39Å; Y52-L97 PolarHBondContact N-O 3.48Å; Y52-L97 PolarHBondContact O-N 2.92Å; Y52-L97 VanDerWaalsContact O-N 3.11Å; Y52-S99 VanDerWaalsContact CE2-OG 3.24Å; Y52-S99 WeakPolarHBondContact CE2-OG 3.49Å; Y52-P102 WeakPolarHBondContact OH-CA 3.28Å; Y52-L103 HydrophobicContact CD1-CD1 4.37Å; Y52-L103 HydrophobicContact CD2-CD1 4.42Å; Y52-L103 HydrophobicContact CE1-CB 4.48Å; Y52-L103 HydrophobicContact CE1-CD1 4.11Å; Y52-L103 HydrophobicContact CE1-CG 4.33Å; Y52-L103 HydrophobicContact CE2-CD1 4.16Å; Y52-L103 HydrophobicContact CE2-CG 4.17Å; Y52-L103 PolarHBondContact OH-N 3.39Å; Y52-M105 HydrophobicContact CD1-CE 3.5Å; Y52-M105 HydrophobicContact CE1-CE 3.36Å; Y52-M105 HydrophobicContact CE1-SD 4.41Å; Y52-I132 HydrophobicContact CD1-CG2 3.94Å; Y52-I132 HydrophobicContact CG-CG2 3.99Å; Y52-N133 CarbonylContact C-O 3.53Å; Y52-N133 WeakPolarHBondContact CA-O 3.39Å; Y52-N133 WeakPolarHBondContact CB-O 3.33Å; Y52-K134 VanDerWaalsContact CD1-CA 3.46Å; Y52-K134 HydrophobicContact CD1-CB 3.94Å; Y52-K134 HydrophobicContact CD1-CG 4.48Å; Y52-K134 HydrophobicContact CE1-CB 3.85Å; Y52-K134 HydrophobicContact CE1-CG 4.17Å; Y52-S135 WeakPolarHBondContact CA-OG 3.49Å
53	H	96.2	Very high	89.5	Confident	69 Å²	69	66.8 Å²	66.8	32%	0.319	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.7	165.3	-169.7	61.3	0	0	0	109.5	E55 A95 I132 N133	H53-E55 IonicContact CD2-OE1 3.9Å; H53-E55 IonicContact NE2-OE1 3.78Å; H53-A95 WeakPolarHBondContact CA-O 3.39Å; H53-A95 PolarHBondContact ND1-O 3.07Å; H53-I132 WeakPolarHBondContact O-CA 3.3Å; H53-N133 PolarHBondContact N-O 3.21Å; H53-N133 PolarHBondContact O-N 2.89Å
54	V	97.3	Very high	89.5	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.6	178.6	-176.6	0	0	0	0	109.1	I56 F72 Y91 A95 L97 V130 S131 I132	V54-I56 HydrophobicContact CG1-CD1 4.25Å; V54-I56 HydrophobicContact CG1-CG1 3.93Å; V54-F72 HydrophobicContact CG1-CD2 4.33Å; V54-F72 HydrophobicContact CG2-CE2 4.5Å; V54-Y91 HydrophobicContact CB-CE2 3.93Å; V54-Y91 HydrophobicContact CG1-CE2 4.1Å; V54-Y91 HydrophobicContact CG2-CD2 4.25Å; V54-Y91 HydrophobicContact CG2-CE2 4.05Å; V54-A95 PolarHBondContact N-O 3.45Å; V54-A95 WeakPolarHBondContact O-CA 3.39Å; V54-L97 HydrophobicContact CG2-CB 3.52Å; V54-L97 HydrophobicContact CG2-CD2 4.09Å; V54-L97 HydrophobicContact CG2-CG 4.45Å; V54-V130 HydrophobicContact CG1-CG1 4.23Å; V54-S131 WeakPolarHBondContact CA-O 3.44Å; V54-I132 HydrophobicContact CG1-CG1 4.41Å; V54-I132 HydrophobicContact CG2-CG1 4.3Å; V54-I132 HydrophobicContact CG2-CG2 4.39Å
55	E	96.6	Very high	90	Very high	78 Å²	78	65.5 Å²	65.5	36%	0.364	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.5	170.6	-60.6	-179.5	-170.3	0	0	109.6	H53 V130 S131	H53-E55 IonicContact CD2-OE1 3.9Å; H53-E55 IonicContact NE2-OE1 3.78Å; E55-V130 WeakPolarHBondContact O-CA 3.21Å; E55-S131 PolarHBondContact N-O 2.98Å; E55-S131 PolarHBondContact O-N 3.13Å
56	I	96	Very high	90.2	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.3	177.2	-56	179.8	0	0	0	107.3	V54 L63 K68 I71 F72 Y91 V128 V130	V54-I56 HydrophobicContact CG1-CD1 4.25Å; V54-I56 HydrophobicContact CG1-CG1 3.93Å; I56-L63 HydrophobicContact CB-CD1 4.47Å; I56-L63 HydrophobicContact CG2-CD1 3.63Å; I56-K68 HydrophobicContact CB-CG 4.42Å; I56-K68 HydrophobicContact CD1-CB 4.02Å; I56-K68 HydrophobicContact CD1-CG 4.23Å; I56-K68 WeakPolarHBondContact CD1-O 3.33Å; I56-I71 HydrophobicContact CD1-CB 4.38Å; I56-I71 HydrophobicContact CD1-CG2 4.27Å; I56-I71 HydrophobicContact CG2-CB 4.34Å; I56-I71 HydrophobicContact CG2-CD1 3.83Å; I56-I71 HydrophobicContact CG2-CG2 3.84Å; I56-F72 HydrophobicContact CD1-CB 4.25Å; I56-Y91 WeakPolarHBondContact CD1-OH 3.36Å; I56-V128 HydrophobicContact CG2-CG1 3.54Å; I56-V130 HydrophobicContact CG1-CG1 4.09Å; I56-V130 HydrophobicContact CG1-CG2 4.22Å; I56-V130 HydrophobicContact CG2-CG2 4.38Å
57	N	88.3	Confident	90.6	Very high	106 Å²	106	62.8 Å²	62.8	57%	0.567	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	139	-172.2	-67.3	-40	0	0	0	111	G129	N57-G129 PolarHBondContact N-O 3.03Å; N57-G129 VanDerWaalsContact N-O 3.08Å; N57-G129 PolarHBondContact O-N 3.45Å
58	I	89.7	Confident	90.8	Very high	40 Å²	40	63.7 Å²	63.7	21%	0.205	31%	0.306	C	S	.	.			trans	-140.6	139.5	170.5	178.7	165.6	0	0	0	108.3	K60 V61 L63 L119 V126 V128	I58-K60 PolarHBondContact O-N 3.03Å; I58-V61 HydrophobicContact CG2-CB 3.88Å; I58-V61 HydrophobicContact CG2-CG1 4.4Å; I58-L63 HydrophobicContact CG2-CD1 3.99Å; I58-L63 HydrophobicContact CG2-CD2 3.86Å; I58-L63 HydrophobicContact CG2-CG 3.86Å; I58-L119 HydrophobicContact CD1-CD1 4.05Å; I58-V126 HydrophobicContact CD1-CB 4.1Å; I58-V126 HydrophobicContact CD1-CG2 3.68Å; I58-V128 HydrophobicContact CB-CG1 4.4Å; I58-V128 HydrophobicContact CB-CG2 4.41Å; I58-V128 HydrophobicContact CD1-CG2 4.09Å
59	D	83.9	Confident	91	Very high	147 Å²	147	60.9 Å²	60.9	79%	0.786	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	129.7	-177.1	-75.5	-13.5	0	0	0	112.1	V61	D59-V61 PolarHBondContact O-N 2.7Å
60	K	80.4	Confident	91	Very high	218 Å²	218	67 Å²	67	95%	0.948	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	9	170.5	-55.1	177.7	-177.7	175.4	0	116	I58	I58-K60 PolarHBondContact O-N 3.03Å
61	V	83.5	Confident	91	Very high	57 Å²	57	66.7 Å²	66.7	35%	0.345	31%	0.312	S	S	.	.			trans	-119.2	121.6	179	179.3	0	0	0	0	110.2	I58 D59 L63 L119	I58-V61 HydrophobicContact CG2-CB 3.88Å; I58-V61 HydrophobicContact CG2-CG1 4.4Å; D59-V61 PolarHBondContact O-N 2.7Å; V61-L63 HydrophobicContact CG1-CD2 4.43Å; V61-L63 PolarHBondContact O-N 3.18Å; V61-L119 HydrophobicContact CG1-CD1 4.37Å
62	K	85.2	Confident	91.2	Very high	206 Å²	206	64.5 Å²	64.5	90%	0.896	30%	0.302	S	S	*	.			trans	-81.2	113.2	173.5	-172.7	175.9	-175.7	171.9	0	109.9
63	L	90.3	Very high	91.2	Very high	22 Å²	22	64.4 Å²	64.4	12%	0.115	30%	0.302	C	S	.	.			trans	-77.7	141.5	176.4	-61.6	177.3	0	0	0	111.5	I56 I58 V61 D67 K68 I71 L119	I56-L63 HydrophobicContact CB-CD1 4.47Å; I56-L63 HydrophobicContact CG2-CD1 3.63Å; I58-L63 HydrophobicContact CG2-CD1 3.99Å; I58-L63 HydrophobicContact CG2-CD2 3.86Å; I58-L63 HydrophobicContact CG2-CG 3.86Å; V61-L63 HydrophobicContact CG1-CD2 4.43Å; V61-L63 PolarHBondContact O-N 3.18Å; L63-D67 HydrophobicContact CB-CB 4.25Å; L63-D67 HydrophobicContact CD2-CB 4.06Å; L63-K68 HydrophobicContact CB-CG 4.13Å; L63-K68 HydrophobicContact CD1-CG 4.42Å; L63-I71 HydrophobicContact CD1-CD1 3.76Å; L63-I71 HydrophobicContact CD2-CD1 4.28Å; L63-L119 HydrophobicContact CD2-CD1 3.9Å; L63-L119 HydrophobicContact CD2-CD2 3.88Å
64	S	88	Confident	91.2	Very high	35 Å²	35	64.2 Å²	64.2	25%	0.245	30%	0.3	C	S	.	.			trans	-82.4	164.7	166.5	72.4	0	0	0	0	111.1	D66 D67 K68 M120	S64-D66 PolarHBondContact O-N 2.79Å; S64-D67 WeakPolarHBondContact CB-OD2 3.4Å; S64-D67 PolarHBondContact N-OD2 2.98Å; S64-D67 WeakPolarHBondContact O-CB 3.06Å; S64-D67 PolarHBondContact O-N 3.41Å; S64-D67 VanDerWaalsContact O-N 3.12Å; S64-D67 VanDerWaalsContact OG-CG 3.27Å; S64-D67 PolarHBondContact OG-N 3.29Å; S64-D67 PolarHBondContact OG-OD2 2.95Å; S64-K68 PolarHBondContact O-N 3.06Å; S64-M120 WeakPolarHBondContact OG-CE 3.32Å
65	R	90	Very high	91.1	Very high	119 Å²	119	64.1 Å²	64.1	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-56.2	-36.8	173.1	-77.1	-172.7	171.2	-167.2	-4.6	113	K68 R69 G93 E94	R65-K68 PolarHBondContact O-N 3.28Å; R65-R69 WeakPolarHBondContact O-CG 2.88Å; R65-R69 PolarHBondContact O-N 3.16Å; R65-G93 WeakPolarHBondContact CA-O 3.07Å; R65-E94 WeakPolarHBondContact CG-OE2 3.38Å; R65-E94 IonicContact CZ-OE2 3.23Å; R65-E94 IonicContact NE-OE2 2.62Å; R65-E94 PolarHBondContact NE-OE2 3.48Å; R65-E94 IonicContact NH2-OE2 3.24Å
66	D	88.2	Confident	91.1	Very high	53 Å²	53	60.5 Å²	60.5	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-71.2	-35.5	178.4	-66.3	-22.4	0	0	0	111.8	S64 R69 R70 M120	S64-D66 PolarHBondContact O-N 2.79Å; D66-R69 PolarHBondContact O-N 3.44Å; D66-R69 IonicContact OD1-NH1 3.86Å; D66-R69 PolarHBondContact OD1-NH1 2.83Å; D66-R70 VanDerWaalsContact O-CG 3.31Å; D66-R70 WeakPolarHBondContact O-CG 3.29Å; D66-R70 PolarHBondContact O-N 2.85Å; D66-R70 VanDerWaalsContact O-N 3.09Å; D66-M120 HydrophobicContact CB-CE 3.99Å
67	D	90.8	Very high	91	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.064	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-48.4	171.8	-60.9	-58.1	0	0	0	110	L63 S64 R69 R70 I71 M120	L63-D67 HydrophobicContact CB-CB 4.25Å; L63-D67 HydrophobicContact CD2-CB 4.06Å; S64-D67 WeakPolarHBondContact CB-OD2 3.4Å; S64-D67 PolarHBondContact N-OD2 2.98Å; S64-D67 WeakPolarHBondContact O-CB 3.06Å; S64-D67 PolarHBondContact O-N 3.41Å; S64-D67 VanDerWaalsContact O-N 3.12Å; S64-D67 VanDerWaalsContact OG-CG 3.27Å; S64-D67 PolarHBondContact OG-N 3.29Å; S64-D67 PolarHBondContact OG-OD2 2.95Å; D67-R69 VanDerWaalsContact C-N 3.33Å; D67-R69 PolarHBondContact O-N 3.2Å; D67-R70 PolarHBondContact O-N 3.07Å; D67-I71 HydrophobicContact CB-CD1 4.44Å; D67-I71 VanDerWaalsContact O-CD1 3.29Å; D67-I71 WeakPolarHBondContact O-CD1 3.4Å; D67-I71 WeakPolarHBondContact O-CG1 3.3Å; D67-I71 PolarHBondContact O-N 3.17Å; D67-M120 VanDerWaalsContact OD1-CE 3.26Å; D67-M120 WeakPolarHBondContact OD1-CE 3.29Å; D67-M120 PolarHBondContact OD1-N 3.48Å
68	K	94.7	Very high	91.4	Very high	29 Å²	29	65.7 Å²	65.7	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-42.5	177.8	-75.4	-173.5	171.4	-168.7	0	112.7	I56 L63 S64 R65 I71 F72 G93 E94	I56-K68 HydrophobicContact CB-CG 4.42Å; I56-K68 HydrophobicContact CD1-CB 4.02Å; I56-K68 HydrophobicContact CD1-CG 4.23Å; I56-K68 WeakPolarHBondContact CD1-O 3.33Å; L63-K68 HydrophobicContact CB-CG 4.13Å; L63-K68 HydrophobicContact CD1-CG 4.42Å; S64-K68 PolarHBondContact O-N 3.06Å; R65-K68 PolarHBondContact O-N 3.28Å; K68-I71 PolarHBondContact O-N 3.29Å; K68-F72 WeakPolarHBondContact O-CB 3.28Å; K68-F72 PolarHBondContact O-N 3.16Å; K68-G93 VanDerWaalsContact CB-O 3.28Å; K68-G93 WeakPolarHBondContact CB-O 3.37Å; K68-G93 WeakPolarHBondContact CD-O 3.21Å; K68-E94 PolarHBondContact NZ-O 3.48Å; K68-E94 IonicContact NZ-OE1 2.91Å; K68-E94 PolarHBondContact NZ-OE1 3.36Å
69	R	93.9	Very high	91.6	Very high	22 Å²	22	64 Å²	64	8%	0.083	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-47.6	175	-74.3	-179	-172.1	126.1	0.2	112.1	R65 D66 D67 I71 F72 W73 Y91 D92	R65-R69 WeakPolarHBondContact O-CG 2.88Å; R65-R69 PolarHBondContact O-N 3.16Å; D66-R69 PolarHBondContact O-N 3.44Å; D66-R69 IonicContact OD1-NH1 3.86Å; D66-R69 PolarHBondContact OD1-NH1 2.83Å; D67-R69 VanDerWaalsContact C-N 3.33Å; D67-R69 PolarHBondContact O-N 3.2Å; R69-I71 VanDerWaalsContact C-N 3.32Å; R69-I71 PolarHBondContact O-N 3.39Å; R69-F72 PolarHBondContact O-N 3.18Å; R69-W73 WeakPolarHBondContact O-CB 3.27Å; R69-W73 PolarHBondContact O-N 2.93Å; R69-Y91 HydrophobicContact CG-CD1 4.48Å; R69-Y91 HydrophobicContact CG-CE1 4.48Å; R69-D92 PolarHBondContact NH2-O 3.29Å
70	R	92.7	Very high	92	Very high	131 Å²	131	61.1 Å²	61.1	49%	0.494	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-44.3	178.2	-72.1	170.7	-179.3	-148.7	-3.8	111.7	D66 D67 K74 T174	D66-R70 VanDerWaalsContact O-CG 3.31Å; D66-R70 WeakPolarHBondContact O-CG 3.29Å; D66-R70 PolarHBondContact O-N 2.85Å; D66-R70 VanDerWaalsContact O-N 3.09Å; D67-R70 PolarHBondContact O-N 3.07Å; R70-K74 WeakPolarHBondContact O-CB 3.23Å; R70-K74 PolarHBondContact O-N 3.33Å; R70-T174 HydrophobicContact CG-CG2 4.16Å
71	I	95.7	Very high	92.6	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-49.7	178	-65.9	155.8	0	0	0	110.6	I56 L63 D67 K68 R69 K74 L75 V117 L119 V128 V130	I56-I71 HydrophobicContact CD1-CB 4.38Å; I56-I71 HydrophobicContact CD1-CG2 4.27Å; I56-I71 HydrophobicContact CG2-CB 4.34Å; I56-I71 HydrophobicContact CG2-CD1 3.83Å; I56-I71 HydrophobicContact CG2-CG2 3.84Å; L63-I71 HydrophobicContact CD1-CD1 3.76Å; L63-I71 HydrophobicContact CD2-CD1 4.28Å; D67-I71 HydrophobicContact CB-CD1 4.44Å; D67-I71 VanDerWaalsContact O-CD1 3.29Å; D67-I71 WeakPolarHBondContact O-CD1 3.4Å; D67-I71 WeakPolarHBondContact O-CG1 3.3Å; D67-I71 PolarHBondContact O-N 3.17Å; K68-I71 PolarHBondContact O-N 3.29Å; R69-I71 VanDerWaalsContact C-N 3.32Å; R69-I71 PolarHBondContact O-N 3.39Å; I71-K74 PolarHBondContact O-N 3.44Å; I71-L75 PolarHBondContact O-N 2.78Å; I71-V117 HydrophobicContact CD1-CG2 4.46Å; I71-V117 HydrophobicContact CG1-CB 4.33Å; I71-V117 HydrophobicContact CG1-CG1 3.97Å; I71-V117 HydrophobicContact CG1-CG2 3.84Å; I71-L119 HydrophobicContact CD1-CD2 3.9Å; I71-L119 HydrophobicContact CG1-CD2 4.37Å; I71-V128 HydrophobicContact CD1-CG1 4.19Å; I71-V128 HydrophobicContact CD1-CG2 4.35Å; I71-V128 HydrophobicContact CG2-CB 4.41Å; I71-V128 HydrophobicContact CG2-CG1 4.26Å; I71-V130 HydrophobicContact CG2-CG2 3.6Å
72	F	97.1	Very high	93	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-48.8	-179.4	176.1	-96.8	0	0	0	112.4	V54 I56 K68 R69 K74 L75 V76 M89 Y91 L97 I132	V54-F72 HydrophobicContact CG1-CD2 4.33Å; V54-F72 HydrophobicContact CG2-CE2 4.5Å; I56-F72 HydrophobicContact CD1-CB 4.25Å; K68-F72 WeakPolarHBondContact O-CB 3.28Å; K68-F72 PolarHBondContact O-N 3.16Å; R69-F72 PolarHBondContact O-N 3.18Å; F72-K74 VanDerWaalsContact C-N 3.32Å; F72-K74 PolarHBondContact O-N 2.86Å; F72-L75 VanDerWaalsContact O-CB 3.25Å; F72-L75 WeakPolarHBondContact O-CB 3.46Å; F72-L75 PolarHBondContact O-N 2.76Å; F72-V76 HydrophobicContact CD1-CG2 4.31Å; F72-V76 HydrophobicContact CE1-CG2 3.81Å; F72-V76 HydrophobicContact CE2-CG2 4.31Å; F72-V76 HydrophobicContact CZ-CG2 3.8Å; F72-V76 WeakPolarHBondContact O-CG2 3.45Å; F72-V76 PolarHBondContact O-N 2.9Å; F72-M89 HydrophobicContact CZ-SD 4.48Å; F72-Y91 HydrophobicContact CB-CD1 3.66Å; F72-Y91 HydrophobicContact CB-CE1 3.42Å; F72-Y91 VanDerWaalsContact CB-CE1 3.42Å; F72-Y91 AromaticContact CD1-CD1 3.35Å; F72-Y91 HydrophobicContact CD1-CD1 3.35Å; F72-Y91 HydrophobicContact CD1-CE1 4.07Å; F72-Y91 AromaticContact CD1-CG 3.72Å; F72-Y91 HydrophobicContact CD1-CG 3.72Å; F72-Y91 HydrophobicContact CD2-CD1 4.22Å; F72-Y91 HydrophobicContact CD2-CE1 4.33Å; F72-Y91 HydrophobicContact CD2-CG 4.36Å; F72-Y91 HydrophobicContact CE1-CD1 4.07Å; F72-Y91 AromaticContact CE1-CG 3.96Å; F72-Y91 HydrophobicContact CE1-CG 3.96Å; F72-Y91 AromaticContact CG-CD1 3.44Å; F72-Y91 HydrophobicContact CG-CD1 3.44Å; F72-Y91 VanDerWaalsContact CG-CD1 3.44Å; F72-Y91 AromaticContact CG-CE1 3.67Å; F72-Y91 HydrophobicContact CG-CE1 3.67Å; F72-Y91 AromaticContact CG-CG 3.94Å; F72-Y91 HydrophobicContact CG-CG 3.94Å; F72-Y91 HydrophobicContact CZ-CG 4.39Å; F72-L97 HydrophobicContact CE1-CD1 4.33Å; F72-L97 HydrophobicContact CE2-CD1 4.31Å; F72-L97 HydrophobicContact CE2-CD2 3.89Å; F72-L97 HydrophobicContact CZ-CD1 3.61Å; F72-L97 HydrophobicContact CZ-CD2 3.92Å; F72-L97 HydrophobicContact CZ-CG 4.36Å; F72-I132 HydrophobicContact CE2-CD1 4.04Å
73	W	96.2	Very high	93.4	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-71.3	-28.9	-177.8	-71.8	117.4	0	0	0	112.9	R69 V76 E77 P86 M89 C173 T174 L175 F388	R69-W73 WeakPolarHBondContact O-CB 3.27Å; R69-W73 PolarHBondContact O-N 2.93Å; W73-V76 HydrophobicContact CE3-CB 4.17Å; W73-V76 HydrophobicContact CE3-CG1 4.18Å; W73-V76 HydrophobicContact CE3-CG2 4.17Å; W73-V76 HydrophobicContact CZ3-CG1 4.32Å; W73-V76 HydrophobicContact CZ3-CG2 4.45Å; W73-V76 PolarHBondContact O-N 3.4Å; W73-E77 PolarHBondContact O-N 3.33Å; W73-P86 HydrophobicContact CZ3-CB 4.4Å; W73-M89 HydrophobicContact CH2-CB 4.4Å; W73-M89 HydrophobicContact CZ3-CE 4.39Å; W73-C173 HydrophobicContact CD2-CB 4.35Å; W73-C173 HydrophobicContact CH2-CB 4.39Å; W73-C173 HydrophobicContact CZ2-CB 3.82Å; W73-T174 WeakPolarHBondContact CB-OG1 3.49Å; W73-L175 HydrophobicContact CB-CD2 4.47Å; W73-L175 HydrophobicContact CB-CG 4.21Å; W73-L175 HydrophobicContact CE3-CD1 3.71Å; W73-L175 HydrophobicContact CE3-CG 4.13Å; W73-L175 HydrophobicContact CZ3-CD1 4.28Å; W73-F388 HydrophobicContact CH2-CE1 4.11Å
74	K	95.7	Very high	93.4	Very high	65 Å²	65	47.4 Å²	47.4	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-42.3	168.9	-177.4	169.5	177.8	173.4	0	112	R70 I71 F72 V76 E77 E78 V115 E116 V117	R70-K74 WeakPolarHBondContact O-CB 3.23Å; R70-K74 PolarHBondContact O-N 3.33Å; I71-K74 PolarHBondContact O-N 3.44Å; F72-K74 VanDerWaalsContact C-N 3.32Å; F72-K74 PolarHBondContact O-N 2.86Å; K74-V76 PolarHBondContact O-N 3.03Å; K74-E77 PolarHBondContact O-N 2.88Å; K74-E78 WeakPolarHBondContact CE-OE1 3.36Å; K74-E78 HydrophobicContact CG-CG 4.35Å; K74-E78 IonicContact NZ-OE1 2.73Å; K74-E78 PolarHBondContact NZ-OE1 3.49Å; K74-E78 WeakPolarHBondContact O-CB 3.05Å; K74-E78 WeakPolarHBondContact O-CG 3.5Å; K74-E78 PolarHBondContact O-N 3.45Å; K74-V115 HydrophobicContact CB-CG1 4.3Å; K74-V115 HydrophobicContact CD-CG1 4.05Å; K74-V115 HydrophobicContact CG-CG1 3.91Å; K74-E116 WeakPolarHBondContact CE-O 3.01Å; K74-E116 PolarHBondContact NZ-O 3.23Å; K74-V117 HydrophobicContact CD-CG1 3.77Å
75	L	96.6	Very high	93.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.3	-43.9	173.2	176.5	62.3	0	0	0	111.8	I71 F72 E78 T79 F83 F111 K113 V115 V130 I132	I71-L75 PolarHBondContact O-N 2.78Å; F72-L75 VanDerWaalsContact O-CB 3.25Å; F72-L75 WeakPolarHBondContact O-CB 3.46Å; F72-L75 PolarHBondContact O-N 2.76Å; L75-E78 PolarHBondContact O-N 2.94Å; L75-T79 WeakPolarHBondContact O-CB 3.42Å; L75-T79 PolarHBondContact O-N 2.96Å; L75-T79 PolarHBondContact O-OG1 3.11Å; L75-F83 HydrophobicContact CD2-CE2 4.4Å; L75-F83 HydrophobicContact CD2-CZ 4.28Å; L75-F83 HydrophobicContact CG-CE2 3.96Å; L75-F83 HydrophobicContact CG-CZ 4.33Å; L75-F111 HydrophobicContact CD1-CE1 3.99Å; L75-F111 HydrophobicContact CD1-CZ 4.32Å; L75-F111 HydrophobicContact CD2-CE1 4.06Å; L75-F111 HydrophobicContact CG-CE1 4.31Å; L75-K113 HydrophobicContact CD1-CB 3.76Å; L75-K113 HydrophobicContact CD1-CD 3.72Å; L75-K113 HydrophobicContact CD1-CG 3.96Å; L75-V115 HydrophobicContact CB-CG2 3.79Å; L75-V115 HydrophobicContact CD1-CG2 3.53Å; L75-V115 HydrophobicContact CG-CG2 4.16Å; L75-V130 HydrophobicContact CD2-CB 3.81Å; L75-V130 HydrophobicContact CD2-CG1 3.53Å; L75-V130 HydrophobicContact CD2-CG2 4.21Å; L75-I132 HydrophobicContact CD2-CD1 4.21Å
76	V	96	Very high	93.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-47.6	179.2	168.5	0	0	0	0	110.8	F72 W73 K74 E78 T79 F83 P86 M89 L175	F72-V76 HydrophobicContact CD1-CG2 4.31Å; F72-V76 HydrophobicContact CE1-CG2 3.81Å; F72-V76 HydrophobicContact CE2-CG2 4.31Å; F72-V76 HydrophobicContact CZ-CG2 3.8Å; F72-V76 WeakPolarHBondContact O-CG2 3.45Å; F72-V76 PolarHBondContact O-N 2.9Å; W73-V76 HydrophobicContact CE3-CB 4.17Å; W73-V76 HydrophobicContact CE3-CG1 4.18Å; W73-V76 HydrophobicContact CE3-CG2 4.17Å; W73-V76 HydrophobicContact CZ3-CG1 4.32Å; W73-V76 HydrophobicContact CZ3-CG2 4.45Å; W73-V76 PolarHBondContact O-N 3.4Å; K74-V76 PolarHBondContact O-N 3.03Å; V76-E78 VanDerWaalsContact C-N 3.34Å; V76-E78 PolarHBondContact O-N 3.46Å; V76-T79 PolarHBondContact O-N 2.95Å; V76-F83 HydrophobicContact CB-CB 4.45Å; V76-F83 HydrophobicContact CB-CD2 4.33Å; V76-F83 HydrophobicContact CB-CG 4.32Å; V76-F83 HydrophobicContact CG1-CB 3.89Å; V76-F83 HydrophobicContact CG1-CG 4.26Å; V76-F83 HydrophobicContact CG2-CB 4.48Å; V76-F83 HydrophobicContact CG2-CD1 4.06Å; V76-F83 HydrophobicContact CG2-CD2 4.14Å; V76-F83 HydrophobicContact CG2-CE1 4.29Å; V76-F83 HydrophobicContact CG2-CE2 4.39Å; V76-F83 HydrophobicContact CG2-CG 3.97Å; V76-F83 HydrophobicContact CG2-CZ 4.46Å; V76-P86 HydrophobicContact CG1-CB 3.78Å; V76-P86 HydrophobicContact CG1-CG 3.76Å; V76-M89 HydrophobicContact CB-CE 4.37Å; V76-M89 HydrophobicContact CG1-CE 3.63Å; V76-M89 HydrophobicContact CG2-CE 3.74Å; V76-L175 HydrophobicContact CG1-CD1 4.15Å
77	E	95	Very high	94.2	Very high	135 Å²	135	44 Å²	44	63%	0.631	22%	0.22	S	C	*	.	H	α-helix	trans	-61.7	-38.6	176.9	-171.9	175.4	-141.4	0	0	112.8	W73 K74 T79 L175	W73-E77 PolarHBondContact O-N 3.33Å; K74-E77 PolarHBondContact O-N 2.88Å; E77-T79 VanDerWaalsContact C-N 3.34Å; E77-T79 PolarHBondContact O-N 3.01Å; E77-L175 HydrophobicContact CB-CD2 4.07Å; E77-L175 HydrophobicContact CG-CD2 4.47Å
78	E	95.1	Very high	94.5	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.393	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0	-178.8	-68.8	-177.2	166.6	0	0	114.6	K74 L75 V76 K113	K74-E78 WeakPolarHBondContact CE-OE1 3.36Å; K74-E78 HydrophobicContact CG-CG 4.35Å; K74-E78 IonicContact NZ-OE1 2.73Å; K74-E78 PolarHBondContact NZ-OE1 3.49Å; K74-E78 WeakPolarHBondContact O-CB 3.05Å; K74-E78 WeakPolarHBondContact O-CG 3.5Å; K74-E78 PolarHBondContact O-N 3.45Å; L75-E78 PolarHBondContact O-N 2.94Å; V76-E78 VanDerWaalsContact C-N 3.34Å; V76-E78 PolarHBondContact O-N 3.46Å; E78-K113 PolarHBondContact O-NZ 3.26Å
79	T	94.6	Very high	94.6	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.025	21%	0.214	C	C	.	.			trans	-138.6	57.9	-175.4	-32.3	0	0	0	0	112.7	L75 V76 E77 D81 V82 F83 F111 K113	L75-T79 WeakPolarHBondContact O-CB 3.42Å; L75-T79 PolarHBondContact O-N 2.96Å; L75-T79 PolarHBondContact O-OG1 3.11Å; V76-T79 PolarHBondContact O-N 2.95Å; E77-T79 VanDerWaalsContact C-N 3.34Å; E77-T79 PolarHBondContact O-N 3.01Å; T79-D81 VanDerWaalsContact CG2-OD1 3.23Å; T79-D81 WeakPolarHBondContact CG2-OD1 3.24Å; T79-D81 PolarHBondContact O-N 3.48Å; T79-V82 HydrophobicContact CG2-CB 3.86Å; T79-V82 HydrophobicContact CG2-CG2 3.69Å; T79-V82 PolarHBondContact O-N 3.07Å; T79-V82 VanDerWaalsContact O-N 3.09Å; T79-F83 HydrophobicContact CG2-CE2 4.47Å; T79-F83 WeakPolarHBondContact O-CD2 3.31Å; T79-F83 PolarHBondContact O-N 3.49Å; T79-F111 HydrophobicContact CG2-CE2 4.34Å; T79-F111 HydrophobicContact CG2-CZ 3.95Å; T79-K113 HydrophobicContact CG2-CD 4.36Å; T79-K113 PolarHBondContact OG1-NZ 3.24Å
80	P	93.2	Very high	94.7	Very high	88 Å²	88	41.4 Å²	41.4	57%	0.571	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19	-175.4	28.4	-36.5	0	0	0	113.9	V82 F83	P80-V82 VanDerWaalsContact C-N 3.32Å; P80-F83 CarbonylContact O-C 3.59Å
81	D	91.6	Very high	94.9	Very high	106 Å²	106	35.2 Å²	35.2	57%	0.567	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-29.1	174.3	60.3	-54.8	0	0	0	112.9	T79	T79-D81 VanDerWaalsContact CG2-OD1 3.23Å; T79-D81 WeakPolarHBondContact CG2-OD1 3.24Å; T79-D81 PolarHBondContact O-N 3.48Å
82	V	92	Very high	94.8	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.048	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-39.6	176.5	178.8	0	0	0	0	111.2	T79 P80 L103 F111	T79-V82 HydrophobicContact CG2-CB 3.86Å; T79-V82 HydrophobicContact CG2-CG2 3.69Å; T79-V82 PolarHBondContact O-N 3.07Å; T79-V82 VanDerWaalsContact O-N 3.09Å; P80-V82 VanDerWaalsContact C-N 3.32Å; V82-L103 HydrophobicContact CG1-CB 4.46Å; V82-F111 HydrophobicContact CB-CE2 4.4Å; V82-F111 HydrophobicContact CG1-CD2 4.22Å; V82-F111 HydrophobicContact CG1-CE2 4.28Å; V82-F111 HydrophobicContact CG1-CG 4.48Å; V82-F111 HydrophobicContact CG2-CD2 4.17Å; V82-F111 HydrophobicContact CG2-CE2 3.73Å; V82-F111 HydrophobicContact CG2-CZ 4.36Å
83	F	93.5	Very high	94.6	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	19%	0.193	C	C	.	.			trans	-110.7	73.6	-177.4	-50.9	-77.1	0	0	0	110.7	L75 V76 T79 P80 N85 M89 L103 F111 I132	L75-F83 HydrophobicContact CD2-CE2 4.4Å; L75-F83 HydrophobicContact CD2-CZ 4.28Å; L75-F83 HydrophobicContact CG-CE2 3.96Å; L75-F83 HydrophobicContact CG-CZ 4.33Å; V76-F83 HydrophobicContact CB-CB 4.45Å; V76-F83 HydrophobicContact CB-CD2 4.33Å; V76-F83 HydrophobicContact CB-CG 4.32Å; V76-F83 HydrophobicContact CG1-CB 3.89Å; V76-F83 HydrophobicContact CG1-CG 4.26Å; V76-F83 HydrophobicContact CG2-CB 4.48Å; V76-F83 HydrophobicContact CG2-CD1 4.06Å; V76-F83 HydrophobicContact CG2-CD2 4.14Å; V76-F83 HydrophobicContact CG2-CE1 4.29Å; V76-F83 HydrophobicContact CG2-CE2 4.39Å; V76-F83 HydrophobicContact CG2-CG 3.97Å; V76-F83 HydrophobicContact CG2-CZ 4.46Å; T79-F83 HydrophobicContact CG2-CE2 4.47Å; T79-F83 WeakPolarHBondContact O-CD2 3.31Å; T79-F83 PolarHBondContact O-N 3.49Å; P80-F83 CarbonylContact O-C 3.59Å; F83-N85 VanDerWaalsContact C-N 3.32Å; F83-N85 PolarHBondContact O-N 2.87Å; F83-M89 HydrophobicContact CB-CE 3.86Å; F83-M89 HydrophobicContact CD1-CE 3.68Å; F83-M89 HydrophobicContact CD1-SD 3.58Å; F83-M89 VanDerWaalsContact CD1-SD 3.58Å; F83-M89 HydrophobicContact CE1-SD 4.2Å; F83-M89 HydrophobicContact CG-CE 4.08Å; F83-L103 HydrophobicContact CD1-CD1 4.3Å; F83-L103 HydrophobicContact CD1-CD2 3.73Å; F83-L103 HydrophobicContact CE1-CD1 3.81Å; F83-L103 HydrophobicContact CE1-CD2 4.11Å; F83-F111 HydrophobicContact CE2-CE1 4.02Å; F83-F111 HydrophobicContact CE2-CZ 4.35Å; F83-F111 HydrophobicContact CZ-CD1 4.25Å; F83-F111 AromaticContact CZ-CE1 3.96Å; F83-F111 HydrophobicContact CZ-CE1 3.96Å; F83-I132 HydrophobicContact CE1-CD1 4.01Å; F83-I132 HydrophobicContact CZ-CD1 3.74Å
84	T	90.9	Very high	94.5	Very high	97 Å²	97	39.6 Å²	39.6	60%	0.595	21%	0.208	S	C	*	.	S	Bend	trans	-62	-35.4	-174.2	52.3	0	0	0	0	113.7
85	N	94.2	Very high	94.5	Very high	44 Å²	44	37.7 Å²	37.7	24%	0.235	20%	0.204	C	C	.	.			trans	-133	99	177.1	-176.7	-4.7	0	0	0	111	F83 F87 S88 E391	F83-N85 VanDerWaalsContact C-N 3.32Å; F83-N85 PolarHBondContact O-N 2.87Å; N85-F87 PolarHBondContact O-N 3.47Å; N85-F87 PolarHBondContact OD1-N 3.05Å; N85-S88 WeakPolarHBondContact O-CB 3.35Å; N85-S88 PolarHBondContact O-N 2.87Å; N85-S88 VanDerWaalsContact O-N 3.09Å; N85-S88 PolarHBondContact O-OG 2.73Å; N85-E391 PolarHBondContact ND2-OE2 3.45Å
86	P	94.3	Very high	94.4	Very high	34 Å²	34	39.2 Å²	39.2	22%	0.221	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-56.7	-30.2	177.9	-28	36.4	0	0	0	115	W73 V76 S88 M89 L175	W73-P86 HydrophobicContact CZ3-CB 4.4Å; V76-P86 HydrophobicContact CG1-CB 3.78Å; V76-P86 HydrophobicContact CG1-CG 3.76Å; P86-S88 VanDerWaalsContact C-N 3.27Å; P86-S88 PolarHBondContact O-N 2.88Å; P86-M89 PolarHBondContact O-N 2.72Å; P86-L175 HydrophobicContact CB-CD1 3.74Å; P86-L175 HydrophobicContact CG-CD1 4.22Å
87	F	95.3	Very high	94.5	Very high	58 Å²	58	39.1 Å²	39.1	25%	0.254	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-78.8	-11.7	-178.7	-62.6	-82.5	0	0	0	113.2	N85 M89 V176 E387 F388 E391	N85-F87 PolarHBondContact O-N 3.47Å; N85-F87 PolarHBondContact OD1-N 3.05Å; F87-M89 PolarHBondContact O-N 3.34Å; F87-V176 HydrophobicContact CE1-CG2 3.99Å; F87-E387 HydrophobicContact CD1-CB 3.77Å; F87-E387 HydrophobicContact CE1-CB 4.13Å; F87-E387 WeakPolarHBondContact CE1-OE2 3.25Å; F87-E387 HydrophobicContact CG-CB 4.37Å; F87-F388 HydrophobicContact CB-CD1 4.44Å; F87-F388 HydrophobicContact CB-CE1 4.46Å; F87-F388 HydrophobicContact CD1-CD1 4.44Å; F87-F388 HydrophobicContact CD1-CD2 4.11Å; F87-F388 HydrophobicContact CD1-CE1 4.06Å; F87-F388 AromaticContact CD1-CE2 3.69Å; F87-F388 HydrophobicContact CD1-CE2 3.69Å; F87-F388 HydrophobicContact CD1-CG 4.45Å; F87-F388 AromaticContact CD1-CZ 3.65Å; F87-F388 HydrophobicContact CD1-CZ 3.65Å; F87-F388 HydrophobicContact CE1-CE2 4.04Å; F87-F388 HydrophobicContact CE1-CZ 4.11Å; F87-F388 VanDerWaalsContact O-CD1 3.25Å; F87-F388 WeakPolarHBondContact O-CD1 3.32Å; F87-E391 HydrophobicContact CB-CB 4.46Å
88	S	95.4	Very high	94.6	Very high	7 Å²	7	32.7 Å²	32.7	5%	0.049	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-83.6	10.7	173.5	76.6	0	0	0	0	113.3	N85 P86 S99 K100 E391 F392	N85-S88 WeakPolarHBondContact O-CB 3.35Å; N85-S88 PolarHBondContact O-N 2.87Å; N85-S88 VanDerWaalsContact O-N 3.09Å; N85-S88 PolarHBondContact O-OG 2.73Å; P86-S88 VanDerWaalsContact C-N 3.27Å; P86-S88 PolarHBondContact O-N 2.88Å; S88-S99 CarbonylContact O-C 3.51Å; S88-S99 VanDerWaalsContact O-CA 3.27Å; S88-S99 WeakPolarHBondContact O-CA 3.27Å; S88-K100 PolarHBondContact O-N 3.15Å; S88-E391 VanDerWaalsContact CA-CG 3.49Å; S88-F392 WeakPolarHBondContact O-CE2 3.35Å; S88-F392 WeakPolarHBondContact O-CZ 3.3Å
89	M	96.5	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145	-175.4	-65.8	-170	-74.3	0	0	113	F72 W73 V76 F83 P86 F87 L97 F98 L103 F388	F72-M89 HydrophobicContact CZ-SD 4.48Å; W73-M89 HydrophobicContact CH2-CB 4.4Å; W73-M89 HydrophobicContact CZ3-CE 4.39Å; V76-M89 HydrophobicContact CB-CE 4.37Å; V76-M89 HydrophobicContact CG1-CE 3.63Å; V76-M89 HydrophobicContact CG2-CE 3.74Å; F83-M89 HydrophobicContact CB-CE 3.86Å; F83-M89 HydrophobicContact CD1-CE 3.68Å; F83-M89 HydrophobicContact CD1-SD 3.58Å; F83-M89 VanDerWaalsContact CD1-SD 3.58Å; F83-M89 HydrophobicContact CE1-SD 4.2Å; F83-M89 HydrophobicContact CG-CE 4.08Å; P86-M89 PolarHBondContact O-N 2.72Å; F87-M89 PolarHBondContact O-N 3.34Å; M89-L97 HydrophobicContact CB-CD1 4.06Å; M89-L97 HydrophobicContact CG-CD1 4.45Å; M89-L97 HydrophobicContact SD-CD1 4.3Å; M89-F98 CarbonylContact C-O 3.46Å; M89-F98 VanDerWaalsContact CA-O 3.25Å; M89-F98 WeakPolarHBondContact CA-O 3.22Å; M89-L103 HydrophobicContact SD-CD2 3.95Å; M89-F388 VanDerWaalsContact O-CD1 3.29Å; M89-F388 WeakPolarHBondContact O-CD1 3.4Å; M89-F388 WeakPolarHBondContact O-CE1 3.4Å
90	A	96.7	Very high	94.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	115.1	173.2	0	0	0	0	0	111	L97 F98 L165 I166 Q169 F392	A90-L97 WeakPolarHBondContact O-CA 3.47Å; A90-F98 PolarHBondContact N-O 2.86Å; A90-F98 PolarHBondContact O-N 3.31Å; A90-L165 HydrophobicContact CB-CB 4.2Å; A90-I166 HydrophobicContact CB-CG1 3.9Å; A90-Q169 HydrophobicContact CB-CG 3.81Å; A90-F392 HydrophobicContact CB-CZ 4.46Å
91	Y	96.9	Very high	94.4	Very high	2 Å²	2	33 Å²	33	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.4	179.6	177.6	-130.1	0	0	0	111.4	V54 I56 R69 F72 G93 E94 L96 L97 Q169	V54-Y91 HydrophobicContact CB-CE2 3.93Å; V54-Y91 HydrophobicContact CG1-CE2 4.1Å; V54-Y91 HydrophobicContact CG2-CD2 4.25Å; V54-Y91 HydrophobicContact CG2-CE2 4.05Å; I56-Y91 WeakPolarHBondContact CD1-OH 3.36Å; R69-Y91 HydrophobicContact CG-CD1 4.48Å; R69-Y91 HydrophobicContact CG-CE1 4.48Å; F72-Y91 HydrophobicContact CB-CD1 3.66Å; F72-Y91 HydrophobicContact CB-CE1 3.42Å; F72-Y91 VanDerWaalsContact CB-CE1 3.42Å; F72-Y91 AromaticContact CD1-CD1 3.35Å; F72-Y91 HydrophobicContact CD1-CD1 3.35Å; F72-Y91 HydrophobicContact CD1-CE1 4.07Å; F72-Y91 AromaticContact CD1-CG 3.72Å; F72-Y91 HydrophobicContact CD1-CG 3.72Å; F72-Y91 HydrophobicContact CD2-CD1 4.22Å; F72-Y91 HydrophobicContact CD2-CE1 4.33Å; F72-Y91 HydrophobicContact CD2-CG 4.36Å; F72-Y91 HydrophobicContact CE1-CD1 4.07Å; F72-Y91 AromaticContact CE1-CG 3.96Å; F72-Y91 HydrophobicContact CE1-CG 3.96Å; F72-Y91 AromaticContact CG-CD1 3.44Å; F72-Y91 HydrophobicContact CG-CD1 3.44Å; F72-Y91 VanDerWaalsContact CG-CD1 3.44Å; F72-Y91 AromaticContact CG-CE1 3.67Å; F72-Y91 HydrophobicContact CG-CE1 3.67Å; F72-Y91 AromaticContact CG-CG 3.94Å; F72-Y91 HydrophobicContact CG-CG 3.94Å; F72-Y91 HydrophobicContact CZ-CG 4.39Å; Y91-G93 VanDerWaalsContact C-N 3.33Å; Y91-G93 PolarHBondContact O-N 3.21Å; Y91-E94 PolarHBondContact OH-N 3.46Å; Y91-L96 VanDerWaalsContact CD2-O 3.27Å; Y91-L96 WeakPolarHBondContact CD2-O 3.37Å; Y91-L97 HydrophobicContact CD2-CB 4.37Å; Y91-Q169 VanDerWaalsContact N-NE2 3.17Å; Y91-Q169 PolarHBondContact O-NE2 2.75Å
92	D	94	Very high	94.4	Very high	28 Å²	28	32.3 Å²	32.3	15%	0.15	18%	0.175	C	C	.	.			trans	-77.4	-17.4	-177.5	75.4	-20.3	0	0	0	114.1	R69 E94 A95 L96 L165	R69-D92 PolarHBondContact NH2-O 3.29Å; D92-E94 WeakPolarHBondContact OD1-CA 3.43Å; D92-E94 PolarHBondContact OD1-N 2.97Å; D92-A95 PolarHBondContact OD1-N 2.86Å; D92-L96 HydrophobicContact CB-CB 4.39Å; D92-L96 PolarHBondContact N-O 2.81Å; D92-L96 PolarHBondContact OD1-N 2.9Å; D92-L96 PolarHBondContact OD2-N 2.81Å; D92-L165 VanDerWaalsContact CA-CD2 3.48Å; D92-L165 HydrophobicContact CB-CD1 4.32Å; D92-L165 HydrophobicContact CB-CD2 3.3Å; D92-L165 HydrophobicContact CB-CG 4.46Å
93	G	93.6	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	87	9.9	-174.1	0	0	0	0	0	114.1	R65 K68 Y91	R65-G93 WeakPolarHBondContact CA-O 3.07Å; K68-G93 VanDerWaalsContact CB-O 3.28Å; K68-G93 WeakPolarHBondContact CB-O 3.37Å; K68-G93 WeakPolarHBondContact CD-O 3.21Å; Y91-G93 VanDerWaalsContact C-N 3.33Å; Y91-G93 PolarHBondContact O-N 3.21Å
94	E	94	Very high	94	Very high	66 Å²	66	36.1 Å²	36.1	31%	0.308	20%	0.201	S	C	.	.	S	Bend	trans	-131.8	-58.3	-178.3	-165.7	70.1	-127.5	0	0	112.8	R65 K68 Y91 D92	R65-E94 WeakPolarHBondContact CG-OE2 3.38Å; R65-E94 IonicContact CZ-OE2 3.23Å; R65-E94 IonicContact NE-OE2 2.62Å; R65-E94 PolarHBondContact NE-OE2 3.48Å; R65-E94 IonicContact NH2-OE2 3.24Å; K68-E94 PolarHBondContact NZ-O 3.48Å; K68-E94 IonicContact NZ-OE1 2.91Å; K68-E94 PolarHBondContact NZ-OE1 3.36Å; Y91-E94 PolarHBondContact OH-N 3.46Å; D92-E94 WeakPolarHBondContact OD1-CA 3.43Å; D92-E94 PolarHBondContact OD1-N 2.97Å
95	A	95	Very high	93.6	Very high	25 Å²	25	33.2 Å²	33.2	21%	0.207	18%	0.181	C	C	.	.	S	Bend	trans	-161.2	-19.1	-168.6	0	0	0	0	0	116	H53 V54 D92	H53-A95 WeakPolarHBondContact CA-O 3.39Å; H53-A95 PolarHBondContact ND1-O 3.07Å; V54-A95 PolarHBondContact N-O 3.45Å; V54-A95 WeakPolarHBondContact O-CA 3.39Å; D92-A95 PolarHBondContact OD1-N 2.86Å
96	L	95.5	Very high	92.7	Very high	32 Å²	32	40.3 Å²	40.3	17%	0.168	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.8	-174.3	-67.8	176.1	0	0	0	111.1	Y91 D92 F98	Y91-L96 VanDerWaalsContact CD2-O 3.27Å; Y91-L96 WeakPolarHBondContact CD2-O 3.37Å; D92-L96 HydrophobicContact CB-CB 4.39Å; D92-L96 PolarHBondContact N-O 2.81Å; D92-L96 PolarHBondContact OD1-N 2.9Å; D92-L96 PolarHBondContact OD2-N 2.81Å; L96-F98 HydrophobicContact CB-CE2 4.33Å
97	L	97.1	Very high	91.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.6	173.6	168.5	67.3	0	0	0	109.4	Y52 V54 F72 M89 A90 Y91 L103 I132	Y52-L97 HydrophobicContact CD2-CD2 4.25Å; Y52-L97 HydrophobicContact CD2-CG 4.21Å; Y52-L97 HydrophobicContact CG-CD2 4.39Å; Y52-L97 PolarHBondContact N-O 3.48Å; Y52-L97 PolarHBondContact O-N 2.92Å; Y52-L97 VanDerWaalsContact O-N 3.11Å; V54-L97 HydrophobicContact CG2-CB 3.52Å; V54-L97 HydrophobicContact CG2-CD2 4.09Å; V54-L97 HydrophobicContact CG2-CG 4.45Å; F72-L97 HydrophobicContact CE1-CD1 4.33Å; F72-L97 HydrophobicContact CE2-CD1 4.31Å; F72-L97 HydrophobicContact CE2-CD2 3.89Å; F72-L97 HydrophobicContact CZ-CD1 3.61Å; F72-L97 HydrophobicContact CZ-CD2 3.92Å; F72-L97 HydrophobicContact CZ-CG 4.36Å; M89-L97 HydrophobicContact CB-CD1 4.06Å; M89-L97 HydrophobicContact CG-CD1 4.45Å; M89-L97 HydrophobicContact SD-CD1 4.3Å; A90-L97 WeakPolarHBondContact O-CA 3.47Å; Y91-L97 HydrophobicContact CD2-CB 4.37Å; L97-L103 HydrophobicContact CD2-CD1 4.13Å; L97-I132 HydrophobicContact CD2-CD1 4.32Å; L97-I132 HydrophobicContact CD2-CG2 4.01Å
98	F	96.1	Very high	90.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.6	169.2	-63	-80	0	0	0	109.6	V49 V50 Q51 M89 A90 L96 V138 V162 L165	V49-F98 HydrophobicContact CG2-CB 4.4Å; V49-F98 HydrophobicContact CG2-CD1 3.81Å; V49-F98 HydrophobicContact CG2-CG 4.44Å; V50-F98 WeakPolarHBondContact O-CA 3.33Å; Q51-F98 HydrophobicContact CB-CD1 3.93Å; Q51-F98 HydrophobicContact CB-CE1 3.64Å; Q51-F98 HydrophobicContact CG-CD1 4.04Å; Q51-F98 HydrophobicContact CG-CE1 3.41Å; Q51-F98 VanDerWaalsContact CG-CE1 3.41Å; Q51-F98 HydrophobicContact CG-CZ 3.92Å; M89-F98 CarbonylContact C-O 3.46Å; M89-F98 VanDerWaalsContact CA-O 3.25Å; M89-F98 WeakPolarHBondContact CA-O 3.22Å; A90-F98 PolarHBondContact N-O 2.86Å; A90-F98 PolarHBondContact O-N 3.31Å; L96-F98 HydrophobicContact CB-CE2 4.33Å; F98-V138 HydrophobicContact CE1-CG2 3.91Å; F98-V162 HydrophobicContact CD1-CG2 3.68Å; F98-V162 HydrophobicContact CD2-CG2 4.09Å; F98-V162 HydrophobicContact CE1-CG2 3.44Å; F98-V162 VanDerWaalsContact CE1-CG2 3.44Å; F98-V162 HydrophobicContact CE2-CG2 3.91Å; F98-V162 HydrophobicContact CG-CG1 4.34Å; F98-V162 HydrophobicContact CG-CG2 3.98Å; F98-V162 HydrophobicContact CZ-CG2 3.57Å; F98-L165 HydrophobicContact CD2-CD1 3.73Å; F98-L165 HydrophobicContact CE2-CD1 3.43Å; F98-L165 VanDerWaalsContact CE2-CD1 3.43Å
99	S	95.8	Very high	89.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.2	169.9	70.9	0	0	0	0	110.8	V49 V50 Y52 S88 E101	V49-S99 CarbonylContact C-O 3.49Å; V49-S99 WeakPolarHBondContact CA-O 3.31Å; V50-S99 PolarHBondContact N-O 3.43Å; V50-S99 PolarHBondContact O-N 2.79Å; Y52-S99 VanDerWaalsContact CE2-OG 3.24Å; Y52-S99 WeakPolarHBondContact CE2-OG 3.49Å; S88-S99 CarbonylContact O-C 3.51Å; S88-S99 VanDerWaalsContact O-CA 3.27Å; S88-S99 WeakPolarHBondContact O-CA 3.27Å; S99-E101 WeakPolarHBondContact CB-O 3.49Å; S99-E101 PolarHBondContact OG-O 2.73Å
100	K	93.5	Very high	89.1	Confident	79 Å²	79	53.1 Å²	53.1	34%	0.343	30%	0.296	S	S	.	.	S	Bend	trans	-65.4	-42.5	174.7	178.9	-177.3	169.8	-171.1	0	111.5	S88 E391 F392	S88-K100 PolarHBondContact O-N 3.15Å; K100-E391 WeakPolarHBondContact CD-O 3.36Å; K100-E391 WeakPolarHBondContact CE-O 3.23Å; K100-E391 PolarHBondContact NZ-O 2.76Å; K100-E391 IonicContact NZ-OE1 3.9Å; K100-E391 PolarHBondContact NZ-OE1 2.71Å; K100-F392 HydrophobicContact CB-CD1 4.22Å; K100-F392 HydrophobicContact CB-CE1 4.07Å
101	E	90.6	Very high	88.9	Confident	104 Å²	104	54.5 Å²	54.5	49%	0.486	30%	0.302	S	S	.	.	S	Bend	trans	-108.7	146.5	178.3	-64.6	179.7	179.2	0	0	110.7	S99 L103	S99-E101 WeakPolarHBondContact CB-O 3.49Å; S99-E101 PolarHBondContact OG-O 2.73Å; E101-L103 PolarHBondContact O-N 3.14Å
102	P	91.1	Very high	88.7	Confident	90 Å²	90	61.7 Å²	61.7	58%	0.584	33%	0.333	S	S	*	.			trans	-56.6	135.1	172.8	-21.8	32.1	0	0	0	111.5	V50 Y52	V50-P102 HydrophobicContact CG2-CB 4.46Å; V50-P102 HydrophobicContact CG2-CG 4.08Å; Y52-P102 WeakPolarHBondContact OH-CA 3.28Å
103	L	92	Very high	88.7	Confident	21 Å²	21	63.6 Å²	63.6	11%	0.11	34%	0.34	C	S	.	.			trans	-69.8	141.7	175.5	-61.5	176.9	0	0	0	110	Y52 V82 F83 M89 L97 E101 M105 I132	Y52-L103 HydrophobicContact CD1-CD1 4.37Å; Y52-L103 HydrophobicContact CD2-CD1 4.42Å; Y52-L103 HydrophobicContact CE1-CB 4.48Å; Y52-L103 HydrophobicContact CE1-CD1 4.11Å; Y52-L103 HydrophobicContact CE1-CG 4.33Å; Y52-L103 HydrophobicContact CE2-CD1 4.16Å; Y52-L103 HydrophobicContact CE2-CG 4.17Å; Y52-L103 PolarHBondContact OH-N 3.39Å; V82-L103 HydrophobicContact CG1-CB 4.46Å; F83-L103 HydrophobicContact CD1-CD1 4.3Å; F83-L103 HydrophobicContact CD1-CD2 3.73Å; F83-L103 HydrophobicContact CE1-CD1 3.81Å; F83-L103 HydrophobicContact CE1-CD2 4.11Å; M89-L103 HydrophobicContact SD-CD2 3.95Å; L97-L103 HydrophobicContact CD2-CD1 4.13Å; E101-L103 PolarHBondContact O-N 3.14Å; L103-M105 HydrophobicContact CB-CE 3.87Å; L103-M105 HydrophobicContact CB-CG 4.14Å; L103-M105 HydrophobicContact CD1-CE 3.64Å; L103-M105 HydrophobicContact CG-CE 4.33Å; L103-M105 PolarHBondContact O-N 3.28Å; L103-I132 HydrophobicContact CD1-CG2 4.35Å
104	S	86.5	Confident	88.8	Confident	72 Å²	72	69 Å²	69	50%	0.503	37%	0.366	S	S	.	.			trans	-72.6	69.6	179.3	-61.8	0	0	0	0	111.9
105	M	81.1	Confident	88.8	Confident	35 Å²	35	65.9 Å²	65.9	17%	0.172	35%	0.351	C	S	.	.			trans	-87.9	130	178.4	-56	-170.8	-175.6	0	0	110.9	Y52 L103 F111 I132	Y52-M105 HydrophobicContact CD1-CE 3.5Å; Y52-M105 HydrophobicContact CE1-CE 3.36Å; Y52-M105 HydrophobicContact CE1-SD 4.41Å; L103-M105 HydrophobicContact CB-CE 3.87Å; L103-M105 HydrophobicContact CB-CG 4.14Å; L103-M105 HydrophobicContact CD1-CE 3.64Å; L103-M105 HydrophobicContact CG-CE 4.33Å; L103-M105 PolarHBondContact O-N 3.28Å; M105-F111 HydrophobicContact CE-CB 4.12Å; M105-F111 HydrophobicContact CG-CB 4.03Å; M105-F111 HydrophobicContact SD-CB 3.91Å; M105-I132 HydrophobicContact CE-CB 4.25Å; M105-I132 HydrophobicContact CE-CG2 3.78Å
106	K	75.5	Confident	88.7	Confident	194 Å²	194	69.2 Å²	69.2	84%	0.843	36%	0.362	S	S	*	.			trans	-81.7	134.8	170.9	-63.6	179.3	-179	175.1	0	109.8
107	G	70.3	Confident	88.5	Confident	77 Å²	77	68.1 Å²	68.1	79%	0.794	36%	0.357	S	S	*	.	S	Bend	trans	87.3	-143.4	171.3	0	0	0	0	0	115.5	G109	G107-G109 PolarHBondContact O-N 2.83Å
108	E	69.3	Low	88	Confident	190 Å²	190	73 Å²	73	89%	0.888	38%	0.38	S	S	*	.	S	Bend	trans	-67.3	20.3	-170.2	-63	-176.3	164.2	0	0	116	I110	E108-I110 PolarHBondContact O-N 2.99Å
109	G	78.2	Confident	87.5	Confident	26 Å²	26	73.4 Å²	73.4	27%	0.268	38%	0.382	S	S	.	.	S	Bend	trans	76.3	20.1	177.7	0	0	0	0	0	115.2	G107 K134	G107-G109 PolarHBondContact O-N 2.83Å; G109-K134 PolarHBondContact O-N 3.11Å
110	I	87.6	Confident	86.8	Confident	74 Å²	74	74.3 Å²	74.3	38%	0.379	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.6	177.5	-61.6	-178.7	0	0	0	109.2	E108 K112 N133	E108-I110 PolarHBondContact O-N 2.99Å; I110-K112 HydrophobicContact CG2-CD 4.24Å; I110-K112 HydrophobicContact CG2-CG 3.94Å; I110-N133 WeakPolarHBondContact CB-OD1 2.98Å; I110-N133 HydrophobicContact CG1-CB 4.39Å; I110-N133 VanDerWaalsContact CG1-OD1 3.24Å; I110-N133 WeakPolarHBondContact CG1-OD1 3.18Å; I110-N133 WeakPolarHBondContact CG2-OD1 3.31Å
111	F	92.6	Very high	86	Confident	29 Å²	29	74.1 Å²	74.1	13%	0.127	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.4	172.6	175.8	-102.3	0	0	0	110.3	L75 T79 V82 F83 M105 K113 S131 I132	L75-F111 HydrophobicContact CD1-CE1 3.99Å; L75-F111 HydrophobicContact CD1-CZ 4.32Å; L75-F111 HydrophobicContact CD2-CE1 4.06Å; L75-F111 HydrophobicContact CG-CE1 4.31Å; T79-F111 HydrophobicContact CG2-CE2 4.34Å; T79-F111 HydrophobicContact CG2-CZ 3.95Å; V82-F111 HydrophobicContact CB-CE2 4.4Å; V82-F111 HydrophobicContact CG1-CD2 4.22Å; V82-F111 HydrophobicContact CG1-CE2 4.28Å; V82-F111 HydrophobicContact CG1-CG 4.48Å; V82-F111 HydrophobicContact CG2-CD2 4.17Å; V82-F111 HydrophobicContact CG2-CE2 3.73Å; V82-F111 HydrophobicContact CG2-CZ 4.36Å; F83-F111 HydrophobicContact CE2-CE1 4.02Å; F83-F111 HydrophobicContact CE2-CZ 4.35Å; F83-F111 HydrophobicContact CZ-CD1 4.25Å; F83-F111 AromaticContact CZ-CE1 3.96Å; F83-F111 HydrophobicContact CZ-CE1 3.96Å; M105-F111 HydrophobicContact CE-CB 4.12Å; M105-F111 HydrophobicContact CG-CB 4.03Å; M105-F111 HydrophobicContact SD-CB 3.91Å; F111-K113 HydrophobicContact CE1-CB 4.01Å; F111-K113 HydrophobicContact CZ-CB 3.79Å; F111-K113 HydrophobicContact CZ-CD 4.06Å; F111-S131 CarbonylContact O-C 3.54Å; F111-S131 VanDerWaalsContact O-CA 3.26Å; F111-S131 WeakPolarHBondContact O-CA 3.43Å; F111-I132 HydrophobicContact CB-CB 4.41Å; F111-I132 HydrophobicContact CD1-CD1 4.15Å; F111-I132 HydrophobicContact CD1-CG1 4.36Å; F111-I132 PolarHBondContact N-O 3.43Å; F111-I132 PolarHBondContact O-N 2.59Å
112	K	93.6	Very high	85.4	Confident	154 Å²	154	70.4 Å²	70.4	67%	0.67	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	132	177.5	-68.6	179.8	-179.3	174.6	0	110.1	I110 V130	I110-K112 HydrophobicContact CG2-CD 4.24Å; I110-K112 HydrophobicContact CG2-CG 3.94Å; K112-V130 WeakPolarHBondContact CA-O 3.48Å
113	K	94.4	Very high	84.6	Confident	68 Å²	68	68 Å²	68	30%	0.296	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	148.2	174.6	-171.6	166	171.5	-177.9	0	110.3	L75 E78 T79 F111 V130	L75-K113 HydrophobicContact CD1-CB 3.76Å; L75-K113 HydrophobicContact CD1-CD 3.72Å; L75-K113 HydrophobicContact CD1-CG 3.96Å; E78-K113 PolarHBondContact O-NZ 3.26Å; T79-K113 HydrophobicContact CG2-CD 4.36Å; T79-K113 PolarHBondContact OG1-NZ 3.24Å; F111-K113 HydrophobicContact CE1-CB 4.01Å; F111-K113 HydrophobicContact CZ-CB 3.79Å; F111-K113 HydrophobicContact CZ-CD 4.06Å; K113-V130 PolarHBondContact N-O 2.85Å; K113-V130 PolarHBondContact O-N 3.41Å
114	Q	94.8	Very high	84.2	Confident	114 Å²	114	75.2 Å²	75.2	53%	0.533	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134	169	-68	-67.6	-26	0	0	108.5	V128 G129	Q114-V128 WeakPolarHBondContact CA-O 3.29Å; Q114-V128 PolarHBondContact OE1-O 3.49Å; Q114-G129 VanDerWaalsContact OE1-N 3.1Å
115	V	94.4	Very high	84.3	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.9	178.4	-171.6	0	0	0	0	108.5	K74 L75 V117 V128 V130	K74-V115 HydrophobicContact CB-CG1 4.3Å; K74-V115 HydrophobicContact CD-CG1 4.05Å; K74-V115 HydrophobicContact CG-CG1 3.91Å; L75-V115 HydrophobicContact CB-CG2 3.79Å; L75-V115 HydrophobicContact CD1-CG2 3.53Å; L75-V115 HydrophobicContact CG-CG2 4.16Å; V115-V117 HydrophobicContact CG1-CG1 3.95Å; V115-V117 PolarHBondContact O-N 2.98Å; V115-V128 PolarHBondContact N-O 2.85Å; V115-V128 PolarHBondContact O-N 3.25Å; V115-V130 HydrophobicContact CG2-CG2 4.15Å
116	E	93.8	Very high	84.7	Confident	95 Å²	95	75.2 Å²	75.2	44%	0.444	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.9	174.8	-170.1	176.7	-110.7	0	0	109.6	K74 P125 V126	K74-E116 WeakPolarHBondContact CE-O 3.01Å; K74-E116 PolarHBondContact NZ-O 3.23Å; E116-P125 HydrophobicContact CG-CB 3.53Å; E116-V126 WeakPolarHBondContact CA-O 3.33Å
117	V	90.8	Very high	85.5	Confident	9 Å²	9	70.9 Å²	70.9	6%	0.055	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.5	-178.7	-75.4	0	0	0	0	111.9	I71 K74 V115 L119 P125 V126 V128	I71-V117 HydrophobicContact CD1-CG2 4.46Å; I71-V117 HydrophobicContact CG1-CB 4.33Å; I71-V117 HydrophobicContact CG1-CG1 3.97Å; I71-V117 HydrophobicContact CG1-CG2 3.84Å; K74-V117 HydrophobicContact CD-CG1 3.77Å; V115-V117 HydrophobicContact CG1-CG1 3.95Å; V115-V117 PolarHBondContact O-N 2.98Å; V117-L119 HydrophobicContact CG2-CD2 3.75Å; V117-L119 HydrophobicContact CG2-CG 4.3Å; V117-L119 PolarHBondContact O-N 2.92Å; V117-P125 WeakPolarHBondContact O-CA 3.33Å; V117-V126 HydrophobicContact CG2-CG2 4.39Å; V117-V126 PolarHBondContact N-O 3.05Å; V117-V126 PolarHBondContact O-N 3.02Å; V117-V128 HydrophobicContact CG2-CB 4.26Å; V117-V128 HydrophobicContact CG2-CG2 3.45Å; V117-V128 VanDerWaalsContact CG2-CG2 3.45Å
118	Q	86.6	Confident	86.7	Confident	102 Å²	102	67.2 Å²	67.2	48%	0.477	33%	0.333	S	S	.	.			trans	-88.5	99.3	164.9	-164.8	175.9	35	0	0	109.1	N123	Q118-N123 PolarHBondContact NE2-O 3.35Å
119	L	84.4	Confident	87.9	Confident	9 Å²	9	59 Å²	59	5%	0.047	30%	0.299	C	S	.	.			trans	-65.3	153.1	177.6	-61.4	-179.3	0	0	0	111.4	I58 V61 L63 I71 V117 C121 S122 V126 V128	I58-L119 HydrophobicContact CD1-CD1 4.05Å; V61-L119 HydrophobicContact CG1-CD1 4.37Å; L63-L119 HydrophobicContact CD2-CD1 3.9Å; L63-L119 HydrophobicContact CD2-CD2 3.88Å; I71-L119 HydrophobicContact CD1-CD2 3.9Å; I71-L119 HydrophobicContact CG1-CD2 4.37Å; V117-L119 HydrophobicContact CG2-CD2 3.75Å; V117-L119 HydrophobicContact CG2-CG 4.3Å; V117-L119 PolarHBondContact O-N 2.92Å; L119-C121 PolarHBondContact O-N 2.73Å; L119-C121 VanDerWaalsContact O-N 3.09Å; L119-S122 PolarHBondContact O-N 3.02Å; L119-V126 HydrophobicContact CD1-CG2 3.62Å; L119-V126 HydrophobicContact CG-CG2 3.67Å; L119-V128 HydrophobicContact CD2-CG2 4.46Å
120	M	80.9	Confident	88.8	Confident	19 Å²	19	58 Å²	58	9%	0.094	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.3	174.6	-71.1	-167.4	-78.4	0	0	112.7	S64 D66 D67 A293 Q294	S64-M120 WeakPolarHBondContact OG-CE 3.32Å; D66-M120 HydrophobicContact CB-CE 3.99Å; D67-M120 VanDerWaalsContact OD1-CE 3.26Å; D67-M120 WeakPolarHBondContact OD1-CE 3.29Å; D67-M120 PolarHBondContact OD1-N 3.48Å; M120-A293 CarbonylContact O-C 3.54Å; M120-A293 WeakPolarHBondContact O-CA 3.47Å; M120-Q294 PolarHBondContact O-N 2.5Å
121	C	77.7	Confident	89.2	Confident	74 Å²	74	55.1 Å²	55.1	50%	0.5	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.5	179.1	62.6	0	0	0	0	114.5	L119	L119-C121 PolarHBondContact O-N 2.73Å; L119-C121 VanDerWaalsContact O-N 3.09Å
122	S	78.5	Confident	89.4	Confident	27 Å²	27	53.8 Å²	53.8	19%	0.189	27%	0.268	C	S	.	.			trans	-124.4	137.8	-174.5	-176.2	0	0	0	0	112	L119 R124	L119-S122 PolarHBondContact O-N 3.02Å; S122-R124 WeakPolarHBondContact CB-O 3.23Å; S122-R124 PolarHBondContact OG-N 3.32Å; S122-R124 VanDerWaalsContact OG-N 3.17Å; S122-R124 PolarHBondContact OG-O 2.89Å
123	N	74	Confident	89.4	Confident	38 Å²	38	48.3 Å²	48.3	20%	0.203	25%	0.246	C	C	.	.	S	Bend	trans	-79.7	-26.8	170.4	-76.1	-32.2	0	0	0	113	Q118 C291 A293 Y295	Q118-N123 PolarHBondContact NE2-O 3.35Å; N123-C291 PolarHBondContact OD1-SG 2.78Å; N123-A293 WeakPolarHBondContact OD1-CB 3.24Å; N123-Y295 PolarHBondContact ND2-OH 3.16Å
124	R	83.5	Confident	89.4	Confident	173 Å²	173	50 Å²	50	65%	0.653	25%	0.254	S	S	*	.	S	Bend	trans	-100.7	145.4	-179.1	-66.8	-178.3	179.6	168.3	-0.9	109.3	S122	S122-R124 WeakPolarHBondContact CB-O 3.23Å; S122-R124 PolarHBondContact OG-N 3.32Å; S122-R124 VanDerWaalsContact OG-N 3.17Å; S122-R124 PolarHBondContact OG-O 2.89Å
125	P	87.4	Confident	89.2	Confident	71 Å²	71	47.7 Å²	47.7	46%	0.461	25%	0.25	S	S	.	.			trans	-54.7	142.5	165.2	-19	31	0	0	0	109.9	E116 V117	E116-P125 HydrophobicContact CG-CB 3.53Å; V117-P125 WeakPolarHBondContact O-CA 3.33Å
126	V	90.8	Very high	89	Confident	37 Å²	37	48.9 Å²	48.9	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.5	175.9	-61.3	0	0	0	0	108.7	I58 E116 V117 L119 V128	I58-V126 HydrophobicContact CD1-CB 4.1Å; I58-V126 HydrophobicContact CD1-CG2 3.68Å; E116-V126 WeakPolarHBondContact CA-O 3.33Å; V117-V126 HydrophobicContact CG2-CG2 4.39Å; V117-V126 PolarHBondContact N-O 3.05Å; V117-V126 PolarHBondContact O-N 3.02Å; L119-V126 HydrophobicContact CD1-CG2 3.62Å; L119-V126 HydrophobicContact CG-CG2 3.67Å; V126-V128 HydrophobicContact CG2-CG2 4.09Å
127	Q	92.7	Very high	88.8	Confident	102 Å²	102	50.2 Å²	50.2	48%	0.477	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.8	172.7	-65.9	-67.4	-9.8	0	0	109
128	V	94.6	Very high	88.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.4	176.6	-176.2	0	0	0	0	109.2	I56 I58 I71 Q114 V115 V117 L119 V126	I56-V128 HydrophobicContact CG2-CG1 3.54Å; I58-V128 HydrophobicContact CB-CG1 4.4Å; I58-V128 HydrophobicContact CB-CG2 4.41Å; I58-V128 HydrophobicContact CD1-CG2 4.09Å; I71-V128 HydrophobicContact CD1-CG1 4.19Å; I71-V128 HydrophobicContact CD1-CG2 4.35Å; I71-V128 HydrophobicContact CG2-CB 4.41Å; I71-V128 HydrophobicContact CG2-CG1 4.26Å; Q114-V128 WeakPolarHBondContact CA-O 3.29Å; Q114-V128 PolarHBondContact OE1-O 3.49Å; V115-V128 PolarHBondContact N-O 2.85Å; V115-V128 PolarHBondContact O-N 3.25Å; V117-V128 HydrophobicContact CG2-CB 4.26Å; V117-V128 HydrophobicContact CG2-CG2 3.45Å; V117-V128 VanDerWaalsContact CG2-CG2 3.45Å; L119-V128 HydrophobicContact CD2-CG2 4.46Å; V126-V128 HydrophobicContact CG2-CG2 4.09Å
129	G	95.2	Very high	88.8	Confident	18 Å²	18	52.5 Å²	52.5	19%	0.186	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.4	176	0	0	0	0	0	110.6	N57 Q114	N57-G129 PolarHBondContact N-O 3.03Å; N57-G129 VanDerWaalsContact N-O 3.08Å; N57-G129 PolarHBondContact O-N 3.45Å; Q114-G129 VanDerWaalsContact OE1-N 3.1Å
130	V	97.1	Very high	88.8	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.1	171	-173.3	0	0	0	0	108.8	V54 E55 I56 I71 L75 K112 K113 V115 I132	V54-V130 HydrophobicContact CG1-CG1 4.23Å; E55-V130 WeakPolarHBondContact O-CA 3.21Å; I56-V130 HydrophobicContact CG1-CG1 4.09Å; I56-V130 HydrophobicContact CG1-CG2 4.22Å; I56-V130 HydrophobicContact CG2-CG2 4.38Å; I71-V130 HydrophobicContact CG2-CG2 3.6Å; L75-V130 HydrophobicContact CD2-CB 3.81Å; L75-V130 HydrophobicContact CD2-CG1 3.53Å; L75-V130 HydrophobicContact CD2-CG2 4.21Å; K112-V130 WeakPolarHBondContact CA-O 3.48Å; K113-V130 PolarHBondContact N-O 2.85Å; K113-V130 PolarHBondContact O-N 3.41Å; V115-V130 HydrophobicContact CG2-CG2 4.15Å; V130-I132 HydrophobicContact CG1-CG1 4.23Å
131	S	95.7	Very high	88.6	Confident	15 Å²	15	55.4 Å²	55.4	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.5	169.4	72.8	0	0	0	0	111.1	V54 E55 F111	V54-S131 WeakPolarHBondContact CA-O 3.44Å; E55-S131 PolarHBondContact N-O 2.98Å; E55-S131 PolarHBondContact O-N 3.13Å; F111-S131 CarbonylContact O-C 3.54Å; F111-S131 VanDerWaalsContact O-CA 3.26Å; F111-S131 WeakPolarHBondContact O-CA 3.43Å
132	I	96.4	Very high	88.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.1	-178.9	-52.8	-179.2	0	0	0	107.7	Y52 H53 V54 F72 L75 F83 L97 L103 M105 F111 V130	Y52-I132 HydrophobicContact CD1-CG2 3.94Å; Y52-I132 HydrophobicContact CG-CG2 3.99Å; H53-I132 WeakPolarHBondContact O-CA 3.3Å; V54-I132 HydrophobicContact CG1-CG1 4.41Å; V54-I132 HydrophobicContact CG2-CG1 4.3Å; V54-I132 HydrophobicContact CG2-CG2 4.39Å; F72-I132 HydrophobicContact CE2-CD1 4.04Å; L75-I132 HydrophobicContact CD2-CD1 4.21Å; F83-I132 HydrophobicContact CE1-CD1 4.01Å; F83-I132 HydrophobicContact CZ-CD1 3.74Å; L97-I132 HydrophobicContact CD2-CD1 4.32Å; L97-I132 HydrophobicContact CD2-CG2 4.01Å; L103-I132 HydrophobicContact CD1-CG2 4.35Å; M105-I132 HydrophobicContact CE-CB 4.25Å; M105-I132 HydrophobicContact CE-CG2 3.78Å; F111-I132 HydrophobicContact CB-CB 4.41Å; F111-I132 HydrophobicContact CD1-CD1 4.15Å; F111-I132 HydrophobicContact CD1-CG1 4.36Å; F111-I132 PolarHBondContact N-O 3.43Å; F111-I132 PolarHBondContact O-N 2.59Å; V130-I132 HydrophobicContact CG1-CG1 4.23Å
133	N	94.5	Very high	87.6	Confident	39 Å²	39	55.7 Å²	55.7	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.2	-177.6	-53.1	-34.5	0	0	0	109.4	Y52 H53 I110 S135	Y52-N133 CarbonylContact C-O 3.53Å; Y52-N133 WeakPolarHBondContact CA-O 3.39Å; Y52-N133 WeakPolarHBondContact CB-O 3.33Å; H53-N133 PolarHBondContact N-O 3.21Å; H53-N133 PolarHBondContact O-N 2.89Å; I110-N133 WeakPolarHBondContact CB-OD1 2.98Å; I110-N133 HydrophobicContact CG1-CB 4.39Å; I110-N133 VanDerWaalsContact CG1-OD1 3.24Å; I110-N133 WeakPolarHBondContact CG1-OD1 3.18Å; I110-N133 WeakPolarHBondContact CG2-OD1 3.31Å; N133-S135 PolarHBondContact O-N 3.48Å
134	K	93	Very high	86.6	Confident	103 Å²	103	58.1 Å²	58.1	45%	0.448	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	124.6	172.5	-174.7	178.1	179.2	178.1	0	109.4	V50 Y52 G109	V50-K134 HydrophobicContact CG1-CD 4.11Å; V50-K134 HydrophobicContact CG1-CG 3.94Å; Y52-K134 VanDerWaalsContact CD1-CA 3.46Å; Y52-K134 HydrophobicContact CD1-CB 3.94Å; Y52-K134 HydrophobicContact CD1-CG 4.48Å; Y52-K134 HydrophobicContact CE1-CB 3.85Å; Y52-K134 HydrophobicContact CE1-CG 4.17Å; G109-K134 PolarHBondContact O-N 3.11Å
135	S	91.3	Very high	84.9	Confident	66 Å²	66	56 Å²	56	46%	0.462	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-17	-176.8	56.6	0	0	0	0	113.8	Q51 Y52 N133	Q51-S135 WeakPolarHBondContact CG-OG 3.32Å; Q51-S135 PolarHBondContact O-N 3.45Å; Q51-S135 PolarHBondContact O-OG 3.05Å; Y52-S135 WeakPolarHBondContact CA-OG 3.49Å; N133-S135 PolarHBondContact O-N 3.48Å
136	G	90.7	Very high	82.9	Confident	25 Å²	25	60.9 Å²	60.9	26%	0.258	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-164.8	175.8	0	0	0	0	0	114.4	Q51	Q51-G136 PolarHBondContact N-O 3.37Å; Q51-G136 PolarHBondContact O-N 2.81Å
137	M	89.6	Confident	80.9	Confident	124 Å²	124	62 Å²	62	61%	0.611	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.4	170.3	-65	-172.2	-139.1	0	0	109.3	V49	V49-M137 CarbonylContact O-C 3.5Å; V49-M137 WeakPolarHBondContact O-CA 3.27Å
138	V	90	Very high	78.6	Confident	11 Å²	11	65 Å²	65	7%	0.067	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.5	178.5	-176.1	0	0	0	0	108.5	V49 Q51 F98 T158 P159 V162	V49-V138 HydrophobicContact CG2-CB 3.8Å; V49-V138 PolarHBondContact N-O 2.84Å; V49-V138 PolarHBondContact O-N 3.26Å; Q51-V138 HydrophobicContact CB-CG2 4.5Å; F98-V138 HydrophobicContact CE1-CG2 3.91Å; V138-T158 HydrophobicContact CB-CG2 4.33Å; V138-T158 HydrophobicContact CG1-CG2 3.82Å; V138-T158 HydrophobicContact CG2-CG2 3.51Å; V138-P159 HydrophobicContact CG1-CG 4.24Å; V138-V162 HydrophobicContact CB-CG2 4.31Å; V138-V162 HydrophobicContact CG1-CG2 4.05Å; V138-V162 HydrophobicContact CG2-CG2 4.46Å
139	R	86.4	Confident	76.3	Confident	148 Å²	148	67.9 Å²	67.9	56%	0.558	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.4	173.7	-64.7	-179.4	162	169.7	-1.3	108.6	L46 E48 I141	L46-R139 HydrophobicContact CD2-CB 4.4Å; L46-R139 HydrophobicContact CD2-CG 4.03Å; E48-R139 HydrophobicContact CG-CG 4.18Å; E48-R139 IonicContact OE1-CZ 3.31Å; E48-R139 VanDerWaalsContact OE1-CZ 3.31Å; E48-R139 IonicContact OE1-NE 2.73Å; E48-R139 PolarHBondContact OE1-NE 3.24Å; E48-R139 IonicContact OE1-NH2 3.02Å; E48-R139 PolarHBondContact OE1-NH2 2.69Å; R139-I141 HydrophobicContact CB-CD1 4.27Å; R139-I141 HydrophobicContact CB-CG1 3.95Å; R139-I141 PolarHBondContact O-N 3.31Å
140	I	84.4	Confident	74.1	Confident	7 Å²	7	69.3 Å²	69.3	4%	0.036	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	93.4	171.2	-47.6	-178.3	0	0	0	107	I47 V49 F142 V162 V163 I166	I47-I140 HydrophobicContact CB-CB 4.13Å; I47-I140 HydrophobicContact CG2-CB 4.18Å; I47-I140 HydrophobicContact CG2-CD1 3.79Å; I47-I140 HydrophobicContact CG2-CG1 4.1Å; I47-I140 PolarHBondContact O-N 3.29Å; V49-I140 HydrophobicContact CG1-CD1 4.32Å; I140-F142 HydrophobicContact CG2-CD2 4.21Å; I140-F142 HydrophobicContact CG2-CE2 3.62Å; I140-F142 HydrophobicContact CG2-CZ 4.47Å; I140-V162 HydrophobicContact CD1-CB 4.4Å; I140-V162 HydrophobicContact CD1-CG1 3.65Å; I140-V162 HydrophobicContact CG1-CG1 4.31Å; I140-V163 HydrophobicContact CD1-CG2 4.25Å; I140-V163 HydrophobicContact CG2-CG2 4.14Å; I140-I166 HydrophobicContact CD1-CD1 4.36Å
141	I	76.6	Confident	71.7	Confident	81 Å²	81	72.6 Å²	72.6	42%	0.415	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-90.4	118.9	-178.8	-55.6	171	0	0	0	108.7	L46 R139 L151	L46-I141 HydrophobicContact CD1-CG1 4.16Å; R139-I141 HydrophobicContact CB-CD1 4.27Å; R139-I141 HydrophobicContact CB-CG1 3.95Å; R139-I141 PolarHBondContact O-N 3.31Å; I141-L151 HydrophobicContact CB-CD1 4.05Å; I141-L151 HydrophobicContact CD1-CD1 4.06Å; I141-L151 HydrophobicContact CD1-CD2 4.09Å; I141-L151 HydrophobicContact CG2-CD1 3.89Å
142	F	70.4	Confident	69.3	Low	41 Å²	41	76.3 Å²	76.3	18%	0.18	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-89.7	130.1	165.6	-71.1	-114.4	0	0	0	106.2	L39 K41 I47 I140 D144 P222 L394	L39-F142 HydrophobicContact CD2-CE1 4.24Å; L39-F142 HydrophobicContact CD2-CZ 3.9Å; L39-F142 HydrophobicContact CG-CE1 4.46Å; L39-F142 HydrophobicContact CG-CZ 4.39Å; K41-F142 HydrophobicContact CB-CD1 3.89Å; K41-F142 HydrophobicContact CB-CD2 4.34Å; K41-F142 HydrophobicContact CB-CE1 3.91Å; K41-F142 HydrophobicContact CB-CE2 4.33Å; K41-F142 HydrophobicContact CB-CG 4.17Å; K41-F142 HydrophobicContact CB-CZ 4.16Å; K41-F142 HydrophobicContact CD-CD2 4.15Å; K41-F142 HydrophobicContact CD-CG 4.23Å; K41-F142 HydrophobicContact CG-CD2 4.4Å; K41-F142 HydrophobicContact CG-CE2 4.46Å; I47-F142 HydrophobicContact CD1-CE2 4.1Å; I140-F142 HydrophobicContact CG2-CD2 4.21Å; I140-F142 HydrophobicContact CG2-CE2 3.62Å; I140-F142 HydrophobicContact CG2-CZ 4.47Å; F142-D144 PolarHBondContact O-N 3.34Å; F142-P222 HydrophobicContact CD1-CB 4.04Å; F142-P222 HydrophobicContact CD1-CG 3.53Å; F142-P222 HydrophobicContact CE1-CB 3.72Å; F142-P222 HydrophobicContact CE1-CG 3.51Å; F142-L394 HydrophobicContact CE2-CD2 3.93Å; F142-L394 HydrophobicContact CZ-CD2 3.51Å
143	K	64.6	Low	67.1	Low	67 Å²	67	78.1 Å²	78.1	29%	0.291	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-63.8	130.2	174.9	-174.2	173.3	-178.3	-177.8	0	109.4	S147 Y220	K143-S147 WeakPolarHBondContact CE-O 3.5Å; K143-S147 PolarHBondContact NZ-O 2.82Å; K143-Y220 HydrophobicContact CB-CG 4.31Å; K143-Y220 HydrophobicContact CD-CD2 3.37Å; K143-Y220 HydrophobicContact CD-CE2 4.21Å; K143-Y220 HydrophobicContact CD-CG 3.74Å
144	D	52.7	Low	64.8	Low	88 Å²	88	82.1 Å²	82.1	47%	0.471	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-75.8	125.4	164.9	-174.3	-17.2	0	0	0	107.8	F142 M146 S147	F142-D144 PolarHBondContact O-N 3.34Å; D144-M146 PolarHBondContact O-N 3.47Å; D144-M146 PolarHBondContact OD1-N 2.92Å; D144-S147 PolarHBondContact O-N 3.49Å
145	P	48.6	Very low	62.8	Low	128 Å²	128	79.5 Å²	79.5	83%	0.831	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-18.1	175.6	16.9	-29	0	0	0	114.6
146	M	45.1	Very low	61.2	Low	175 Å²	175	78 Å²	78	86%	0.862	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.6	176.7	-67	-108.2	-117	0	0	115.3	D144	D144-M146 PolarHBondContact O-N 3.47Å; D144-M146 PolarHBondContact OD1-N 2.92Å
147	S	49.3	Very low	60	Low	61 Å²	61	81.2 Å²	81.2	43%	0.427	46%	0.455	S	S	.	.			trans	-101.2	108.4	-176.1	-60.7	0	0	0	0	111.8	K143 D144 G149	K143-S147 WeakPolarHBondContact CE-O 3.5Å; K143-S147 PolarHBondContact NZ-O 2.82Å; D144-S147 PolarHBondContact O-N 3.49Å; S147-G149 VanDerWaalsContact C-N 3.26Å; S147-G149 PolarHBondContact O-N 2.73Å
148	D	45.3	Very low	59.3	Low	164 Å²	164	77.8 Å²	77.8	88%	0.877	44%	0.441	S	S	*	.			trans	-77.6	0.7	-178.3	-103.7	-12.7	0	0	0	115.1
149	G	46.2	Very low	59	Low	61 Å²	61	78.3 Å²	78.3	63%	0.629	44%	0.444	S	S	*	.			trans	-90.3	114.7	177.4	0	0	0	0	0	112.8	S147	S147-G149 VanDerWaalsContact C-N 3.26Å; S147-G149 PolarHBondContact O-N 2.73Å
150	G	48.2	Very low	59.1	Low	48 Å²	48	72.8 Å²	72.8	50%	0.495	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-67.8	143	168.3	0	0	0	0	0	111.8
151	L	46.9	Very low	59.4	Low	72 Å²	72	76.5 Å²	76.5	38%	0.377	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-76.4	151.3	171.8	-81.3	153.4	0	0	0	110.1	I141 T153	I141-L151 HydrophobicContact CB-CD1 4.05Å; I141-L151 HydrophobicContact CD1-CD1 4.06Å; I141-L151 HydrophobicContact CD1-CD2 4.09Å; I141-L151 HydrophobicContact CG2-CD1 3.89Å; L151-T153 PolarHBondContact O-N 3.44Å
152	P	46	Very low	60.2	Low	94 Å²	94	72.7 Å²	72.7	61%	0.61	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-61.1	125.1	171.8	-18.3	29.9	0	0	0	110.6	D154 S155	P152-D154 PolarHBondContact O-N 3.31Å; P152-S155 VanDerWaalsContact O-CB 3.27Å; P152-S155 WeakPolarHBondContact O-CB 3.35Å; P152-S155 PolarHBondContact O-N 3.26Å; P152-S155 PolarHBondContact O-OG 2.83Å
153	T	48.8	Very low	61.3	Low	38 Å²	38	71 Å²	71	23%	0.233	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-39.1	-38.2	178.1	45.3	0	0	0	0	116.9	L151 S155 E156 R680	L151-T153 PolarHBondContact O-N 3.44Å; T153-S155 PolarHBondContact O-N 2.84Å; T153-S155 VanDerWaalsContact O-N 3.08Å; T153-E156 PolarHBondContact O-N 2.87Å; T153-R680 PolarHBondContact OG1-NH1 2.9Å; T153-R680 VanDerWaalsContact OG1-NH1 3.14Å; T153-R680 PolarHBondContact OG1-NH2 2.84Å
154	D	46.5	Very low	62.8	Low	122 Å²	122	69.6 Å²	69.6	65%	0.652	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-66.8	-11	178.9	-69.3	-10.8	0	0	0	112.9	P152 R680	P152-D154 PolarHBondContact O-N 3.31Å; D154-R680 IonicContact OD1-NH1 3.39Å; D154-R680 PolarHBondContact OD1-NH1 2.9Å
155	S	51.7	Low	64.8	Low	48 Å²	48	66.5 Å²	66.5	34%	0.336	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-88.5	-4.2	176.4	70.8	0	0	0	0	114.9	P152 T153 P159	P152-S155 VanDerWaalsContact O-CB 3.27Å; P152-S155 WeakPolarHBondContact O-CB 3.35Å; P152-S155 PolarHBondContact O-N 3.26Å; P152-S155 PolarHBondContact O-OG 2.83Å; T153-S155 PolarHBondContact O-N 2.84Å; T153-S155 VanDerWaalsContact O-N 3.08Å; S155-P159 WeakPolarHBondContact O-CD 3.26Å; S155-P159 VanDerWaalsContact O-CG 3.27Å; S155-P159 WeakPolarHBondContact O-CG 3.46Å
156	E	56.6	Low	67	Low	36 Å²	36	60.4 Å²	60.4	17%	0.168	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-36.1	-176	-63.8	-170.8	179	0	0	114.7	T153 T158 P159 V160 Y220	T153-E156 PolarHBondContact O-N 2.87Å; E156-T158 VanDerWaalsContact C-N 3.3Å; E156-T158 PolarHBondContact O-N 2.77Å; E156-P159 VanDerWaalsContact O-CD 3.25Å; E156-P159 WeakPolarHBondContact O-CD 3.43Å; E156-V160 WeakPolarHBondContact O-CG2 3.32Å; E156-V160 PolarHBondContact O-N 2.73Å; E156-V160 VanDerWaalsContact O-N 3.12Å; E156-Y220 VanDerWaalsContact OE1-CE1 3.23Å; E156-Y220 WeakPolarHBondContact OE1-CE1 3.41Å
157	H	65.2	Low	69.4	Low	92 Å²	92	52.1 Å²	52.1	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-38.2	-172.6	-69.4	-51.9	0	0	0	112.7	Q161 E676	H157-Q161 WeakPolarHBondContact O-CB 3.3Å; H157-Q161 PolarHBondContact O-N 2.77Å; H157-E676 IonicContact CE1-OE1 2.64Å
158	T	75	Confident	71.6	Confident	52 Å²	52	50.5 Å²	50.5	32%	0.319	31%	0.307	S	S	.	.	H	α-helix	trans	-68.8	-49.9	-178.8	-48.1	0	0	0	0	111.3	V138 E156 V160 Q161 V162	V138-T158 HydrophobicContact CB-CG2 4.33Å; V138-T158 HydrophobicContact CG1-CG2 3.82Å; V138-T158 HydrophobicContact CG2-CG2 3.51Å; E156-T158 VanDerWaalsContact C-N 3.3Å; E156-T158 PolarHBondContact O-N 2.77Å; T158-V160 PolarHBondContact O-N 3.33Å; T158-Q161 WeakPolarHBondContact O-CB 3.43Å; T158-Q161 PolarHBondContact O-N 3.41Å; T158-V162 WeakPolarHBondContact O-CG2 3.34Å; T158-V162 PolarHBondContact O-N 3.08Å
159	P	85.4	Confident	73.9	Confident	21 Å²	21	42.8 Å²	42.8	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-53.3	-44.6	171.2	-29.4	34.6	0	0	0	114.6	V138 S155 E156 Q161 V162 V163	V138-P159 HydrophobicContact CG1-CG 4.24Å; S155-P159 WeakPolarHBondContact O-CD 3.26Å; S155-P159 VanDerWaalsContact O-CG 3.27Å; S155-P159 WeakPolarHBondContact O-CG 3.46Å; E156-P159 VanDerWaalsContact O-CD 3.25Å; E156-P159 WeakPolarHBondContact O-CD 3.43Å; P159-Q161 VanDerWaalsContact C-N 3.35Å; P159-Q161 PolarHBondContact O-N 3.18Å; P159-V162 WeakPolarHBondContact O-CB 3.47Å; P159-V162 PolarHBondContact O-N 3.03Å; P159-V163 WeakPolarHBondContact O-CG2 3.29Å; P159-V163 PolarHBondContact O-N 2.54Å
160	V	88.5	Confident	76.2	Confident	32 Å²	32	39.9 Å²	39.9	19%	0.194	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-43	178.2	172.7	0	0	0	0	111	E156 T158 V162 V163 D164 A214 V216	E156-V160 WeakPolarHBondContact O-CG2 3.32Å; E156-V160 PolarHBondContact O-N 2.73Å; E156-V160 VanDerWaalsContact O-N 3.12Å; T158-V160 PolarHBondContact O-N 3.33Å; V160-V162 VanDerWaalsContact C-N 3.34Å; V160-V162 PolarHBondContact O-N 3.47Å; V160-V163 PolarHBondContact O-N 2.92Å; V160-D164 WeakPolarHBondContact O-CB 3.37Å; V160-D164 PolarHBondContact O-N 3.02Å; V160-A214 HydrophobicContact CG1-CB 4.04Å; V160-A214 WeakPolarHBondContact CG1-O 3.39Å; V160-V216 HydrophobicContact CG2-CG2 3.94Å
161	Q	89.9	Confident	78.4	Confident	86 Å²	86	38 Å²	38	40%	0.402	21%	0.214	S	C	.	.	H	α-helix	trans	-61.8	-40.9	176.2	-174.4	-178.2	31.7	0	0	112.2	H157 T158 P159 D164 L165	H157-Q161 WeakPolarHBondContact O-CB 3.3Å; H157-Q161 PolarHBondContact O-N 2.77Å; T158-Q161 WeakPolarHBondContact O-CB 3.43Å; T158-Q161 PolarHBondContact O-N 3.41Å; P159-Q161 VanDerWaalsContact C-N 3.35Å; P159-Q161 PolarHBondContact O-N 3.18Å; Q161-D164 PolarHBondContact O-N 2.71Å; Q161-L165 HydrophobicContact CG-CD1 4.2Å; Q161-L165 VanDerWaalsContact O-CG 3.3Å; Q161-L165 WeakPolarHBondContact O-CG 3.11Å; Q161-L165 PolarHBondContact O-N 2.66Å
162	V	93.3	Very high	80.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-49.4	175.6	173.3	0	0	0	0	110.3	V49 F98 V138 I140 T158 P159 V160 D164 L165 I166	V49-V162 HydrophobicContact CG1-CG1 4.45Å; V49-V162 HydrophobicContact CG2-CG1 3.91Å; V49-V162 HydrophobicContact CG2-CG2 4.18Å; F98-V162 HydrophobicContact CD1-CG2 3.68Å; F98-V162 HydrophobicContact CD2-CG2 4.09Å; F98-V162 HydrophobicContact CE1-CG2 3.44Å; F98-V162 VanDerWaalsContact CE1-CG2 3.44Å; F98-V162 HydrophobicContact CE2-CG2 3.91Å; F98-V162 HydrophobicContact CG-CG1 4.34Å; F98-V162 HydrophobicContact CG-CG2 3.98Å; F98-V162 HydrophobicContact CZ-CG2 3.57Å; V138-V162 HydrophobicContact CB-CG2 4.31Å; V138-V162 HydrophobicContact CG1-CG2 4.05Å; V138-V162 HydrophobicContact CG2-CG2 4.46Å; I140-V162 HydrophobicContact CD1-CB 4.4Å; I140-V162 HydrophobicContact CD1-CG1 3.65Å; I140-V162 HydrophobicContact CG1-CG1 4.31Å; T158-V162 WeakPolarHBondContact O-CG2 3.34Å; T158-V162 PolarHBondContact O-N 3.08Å; P159-V162 WeakPolarHBondContact O-CB 3.47Å; P159-V162 PolarHBondContact O-N 3.03Å; V160-V162 VanDerWaalsContact C-N 3.34Å; V160-V162 PolarHBondContact O-N 3.47Å; V162-D164 PolarHBondContact O-N 3Å; V162-L165 WeakPolarHBondContact O-CB 3.36Å; V162-L165 PolarHBondContact O-N 3.25Å; V162-L165 VanDerWaalsContact O-N 3.17Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.42Å; V162-I166 WeakPolarHBondContact O-CG1 3.38Å; V162-I166 PolarHBondContact O-N 2.72Å
163	V	94.5	Very high	83	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-42.4	179.6	176.9	0	0	0	0	111.2	L39 I140 P159 V160 L165 I166 L167 A214 L394	L39-V163 HydrophobicContact CD1-CG1 4.4Å; L39-V163 HydrophobicContact CD2-CG1 3.65Å; L39-V163 HydrophobicContact CD2-CG2 4.23Å; I140-V163 HydrophobicContact CD1-CG2 4.25Å; I140-V163 HydrophobicContact CG2-CG2 4.14Å; P159-V163 WeakPolarHBondContact O-CG2 3.29Å; P159-V163 PolarHBondContact O-N 2.54Å; V160-V163 PolarHBondContact O-N 2.92Å; V163-L165 PolarHBondContact O-N 3.36Å; V163-I166 PolarHBondContact O-N 3.42Å; V163-L167 HydrophobicContact CG1-CD1 3.82Å; V163-L167 HydrophobicContact CG1-CG 4.21Å; V163-L167 WeakPolarHBondContact O-CB 3.43Å; V163-L167 VanDerWaalsContact O-CG 3.25Å; V163-L167 WeakPolarHBondContact O-CG 3.15Å; V163-L167 PolarHBondContact O-N 3.1Å; V163-A214 HydrophobicContact CB-CB 3.93Å; V163-A214 HydrophobicContact CG1-CB 3.66Å; V163-L394 HydrophobicContact CG2-CD1 4.48Å
164	D	94.5	Very high	85.1	Confident	38 Å²	38	31.8 Å²	31.8	20%	0.203	18%	0.178	C	C	.	.	H	α-helix	trans	-55.7	-41.3	174.1	-92.1	-15.9	0	0	0	112.1	V160 Q161 V162 A168 S213 A214	V160-D164 WeakPolarHBondContact O-CB 3.37Å; V160-D164 PolarHBondContact O-N 3.02Å; Q161-D164 PolarHBondContact O-N 2.71Å; V162-D164 PolarHBondContact O-N 3Å; D164-A168 WeakPolarHBondContact O-CB 3.25Å; D164-A168 PolarHBondContact O-N 2.69Å; D164-A168 VanDerWaalsContact O-N 3.14Å; D164-S213 WeakPolarHBondContact OD1-CA 3.48Å; D164-S213 PolarHBondContact OD1-OG 3.41Å; D164-S213 PolarHBondContact OD2-OG 2.74Å; D164-S213 VanDerWaalsContact OD2-OG 3.07Å; D164-A214 PolarHBondContact OD1-N 3.02Å
165	L	94.9	Very high	87.3	Confident	22 Å²	22	28.7 Å²	28.7	12%	0.115	16%	0.161	C	C	.	.	H	α-helix	trans	-70	-43.5	178.4	-74.2	167.7	0	0	0	112.5	A90 D92 F98 Q161 V162 V163 A168 Q169	A90-L165 HydrophobicContact CB-CB 4.2Å; D92-L165 VanDerWaalsContact CA-CD2 3.48Å; D92-L165 HydrophobicContact CB-CD1 4.32Å; D92-L165 HydrophobicContact CB-CD2 3.3Å; D92-L165 HydrophobicContact CB-CG 4.46Å; F98-L165 HydrophobicContact CD2-CD1 3.73Å; F98-L165 HydrophobicContact CE2-CD1 3.43Å; F98-L165 VanDerWaalsContact CE2-CD1 3.43Å; Q161-L165 HydrophobicContact CG-CD1 4.2Å; Q161-L165 VanDerWaalsContact O-CG 3.3Å; Q161-L165 WeakPolarHBondContact O-CG 3.11Å; Q161-L165 PolarHBondContact O-N 2.66Å; V162-L165 WeakPolarHBondContact O-CB 3.36Å; V162-L165 PolarHBondContact O-N 3.25Å; V162-L165 VanDerWaalsContact O-N 3.17Å; V163-L165 PolarHBondContact O-N 3.36Å; L165-A168 PolarHBondContact O-N 3.43Å; L165-Q169 WeakPolarHBondContact O-CG 3.18Å; L165-Q169 PolarHBondContact O-N 3.39Å; L165-Q169 PolarHBondContact O-NE2 2.69Å
166	I	95.9	Very high	89.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-50.5	175.5	-63.8	162.8	0	0	0	109.3	A90 I140 V162 V163 A168 Q169 F388 L389 F392 L394	A90-I166 HydrophobicContact CB-CG1 3.9Å; I140-I166 HydrophobicContact CD1-CD1 4.36Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.42Å; V162-I166 WeakPolarHBondContact O-CG1 3.38Å; V162-I166 PolarHBondContact O-N 2.72Å; V163-I166 PolarHBondContact O-N 3.42Å; I166-A168 PolarHBondContact O-N 2.87Å; I166-A168 VanDerWaalsContact O-N 3.15Å; I166-Q169 PolarHBondContact O-N 2.71Å; I166-F388 HydrophobicContact CG2-CB 4.14Å; I166-L389 HydrophobicContact CG2-CD2 3.77Å; I166-L389 HydrophobicContact CG2-CG 4.4Å; I166-F392 HydrophobicContact CD1-CB 3.97Å; I166-F392 HydrophobicContact CD1-CD1 3.51Å; I166-F392 HydrophobicContact CD1-CD2 4.08Å; I166-F392 HydrophobicContact CD1-CE1 3.94Å; I166-F392 HydrophobicContact CD1-CE2 4.44Å; I166-F392 HydrophobicContact CD1-CG 3.58Å; I166-F392 HydrophobicContact CD1-CZ 4.36Å; I166-F392 HydrophobicContact CG1-CD1 4.18Å; I166-F392 HydrophobicContact CG1-CD2 4.01Å; I166-F392 HydrophobicContact CG1-CE1 4.25Å; I166-F392 HydrophobicContact CG1-CE2 4.07Å; I166-F392 HydrophobicContact CG1-CG 4.05Å; I166-F392 HydrophobicContact CG1-CZ 4.18Å; I166-F392 HydrophobicContact CG2-CB 4.38Å; I166-F392 HydrophobicContact CG2-CD2 3.96Å; I166-F392 HydrophobicContact CG2-CG 4.28Å; I166-L394 HydrophobicContact CD1-CD1 4.06Å
167	L	95.1	Very high	90.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-50.6	-45.1	178.2	-77.3	166.1	0	0	0	110.3	V163 Q169 R171 I212 A214 V224 L389 I396	V163-L167 HydrophobicContact CG1-CD1 3.82Å; V163-L167 HydrophobicContact CG1-CG 4.21Å; V163-L167 WeakPolarHBondContact O-CB 3.43Å; V163-L167 VanDerWaalsContact O-CG 3.25Å; V163-L167 WeakPolarHBondContact O-CG 3.15Å; V163-L167 PolarHBondContact O-N 3.1Å; L167-Q169 VanDerWaalsContact C-N 3.33Å; L167-Q169 PolarHBondContact O-N 3.48Å; L167-R171 PolarHBondContact O-NH1 3.06Å; L167-R171 PolarHBondContact O-NH2 2.79Å; L167-I212 HydrophobicContact CB-CG2 4.32Å; L167-I212 HydrophobicContact CD1-CG2 3.97Å; L167-I212 HydrophobicContact CD2-CG2 4.4Å; L167-I212 HydrophobicContact CG-CG2 4.48Å; L167-A214 HydrophobicContact CD1-CB 4.32Å; L167-V224 HydrophobicContact CD1-CG1 4Å; L167-V224 HydrophobicContact CD1-CG2 4.18Å; L167-V224 HydrophobicContact CD2-CG1 4.46Å; L167-V224 HydrophobicContact CD2-CG2 4.48Å; L167-L389 HydrophobicContact CD2-CD1 3.97Å; L167-L389 HydrophobicContact CD2-CD2 3.84Å; L167-L389 HydrophobicContact CD2-CG 4.43Å; L167-L389 HydrophobicContact CG-CD2 4.24Å; L167-I396 HydrophobicContact CD2-CD1 3.58Å; L167-I396 HydrophobicContact CD2-CG1 4.41Å
168	A	94.5	Very high	92.1	Very high	27 Å²	27	26.2 Å²	26.2	22%	0.223	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-24.4	-176.5	0	0	0	0	0	115.5	D164 L165 I166 G170 R171 A172	D164-A168 WeakPolarHBondContact O-CB 3.25Å; D164-A168 PolarHBondContact O-N 2.69Å; D164-A168 VanDerWaalsContact O-N 3.14Å; L165-A168 PolarHBondContact O-N 3.43Å; I166-A168 PolarHBondContact O-N 2.87Å; I166-A168 VanDerWaalsContact O-N 3.15Å; A168-G170 PolarHBondContact O-N 2.64Å; A168-R171 PolarHBondContact O-N 2.88Å; A168-R171 VanDerWaalsContact O-N 3.17Å; A168-A172 WeakPolarHBondContact O-CB 3.08Å; A168-A172 PolarHBondContact O-N 2.56Å
169	Q	95.2	Very high	92.9	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-41.5	-166.2	-63.8	-48	-46.4	0	0	113.9	A90 Y91 L165 I166 L167 R171 A172 C173 F388	A90-Q169 HydrophobicContact CB-CG 3.81Å; Y91-Q169 VanDerWaalsContact N-NE2 3.17Å; Y91-Q169 PolarHBondContact O-NE2 2.75Å; L165-Q169 WeakPolarHBondContact O-CG 3.18Å; L165-Q169 PolarHBondContact O-N 3.39Å; L165-Q169 PolarHBondContact O-NE2 2.69Å; I166-Q169 PolarHBondContact O-N 2.71Å; L167-Q169 VanDerWaalsContact C-N 3.33Å; L167-Q169 PolarHBondContact O-N 3.48Å; Q169-R171 PolarHBondContact O-N 2.9Å; Q169-A172 PolarHBondContact O-N 2.93Å; Q169-C173 VanDerWaalsContact O-CB 3.28Å; Q169-C173 WeakPolarHBondContact O-CB 3.27Å; Q169-C173 PolarHBondContact O-N 3.1Å; Q169-F388 HydrophobicContact CB-CB 4.1Å; Q169-F388 HydrophobicContact CB-CD1 3.52Å; Q169-F388 HydrophobicContact CB-CD2 3.47Å; Q169-F388 VanDerWaalsContact CB-CD2 3.47Å; Q169-F388 HydrophobicContact CB-CE1 3.7Å; Q169-F388 HydrophobicContact CB-CE2 3.66Å; Q169-F388 HydrophobicContact CB-CG 3.41Å; Q169-F388 VanDerWaalsContact CB-CG 3.41Å; Q169-F388 HydrophobicContact CB-CZ 3.79Å; Q169-F388 HydrophobicContact CG-CD1 3.83Å; Q169-F388 HydrophobicContact CG-CE1 4.12Å; Q169-F388 HydrophobicContact CG-CG 4.11Å
170	G	93.7	Very high	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.7	-14.8	179.2	0	0	0	0	0	115	A168 R178 D386	A168-G170 PolarHBondContact O-N 2.64Å; G170-R178 WeakPolarHBondContact O-CG 3.32Å; G170-R178 PolarHBondContact O-NE 2.84Å; G170-R178 VanDerWaalsContact O-NE 3.07Å; G170-D386 WeakPolarHBondContact CA-OD2 3.11Å
171	R	94.5	Very high	93.5	Very high	9 Å²	9	34 Å²	34	3%	0.034	18%	0.181	C	C	.	.	H	α-helix	trans	-116.8	-9.2	178.3	-62.2	165.8	-60.2	-69.4	3.5	113.5	L167 A168 Q169 F182 V184 A189 A381 D386	L167-R171 PolarHBondContact O-NH1 3.06Å; L167-R171 PolarHBondContact O-NH2 2.79Å; A168-R171 PolarHBondContact O-N 2.88Å; A168-R171 VanDerWaalsContact O-N 3.17Å; Q169-R171 PolarHBondContact O-N 2.9Å; R171-F182 HydrophobicContact CB-CB 4.41Å; R171-F182 HydrophobicContact CB-CD2 4.03Å; R171-F182 HydrophobicContact CB-CG 4.21Å; R171-F182 HydrophobicContact CG-CD2 3.88Å; R171-F182 HydrophobicContact CG-CE2 3.95Å; R171-F182 HydrophobicContact CG-CG 4.28Å; R171-F182 HydrophobicContact CG-CZ 4.39Å; R171-V184 HydrophobicContact CB-CG2 4.32Å; R171-V184 WeakPolarHBondContact O-CG2 3.3Å; R171-A189 HydrophobicContact CB-CB 4.17Å; R171-A189 HydrophobicContact CG-CB 4.42Å; R171-A381 HydrophobicContact CG-CB 4.47Å; R171-D386 IonicContact NH1-OD2 2.76Å
172	A	94.2	Very high	93.7	Very high	10 Å²	10	30.2 Å²	30.2	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-116.1	-27.5	-175.3	0	0	0	0	0	113.8	A168 Q169 T174 V184	A168-A172 WeakPolarHBondContact O-CB 3.08Å; A168-A172 PolarHBondContact O-N 2.56Å; Q169-A172 PolarHBondContact O-N 2.93Å; A172-T174 PolarHBondContact O-N 3.03Å; A172-V184 HydrophobicContact CB-CG2 4.21Å
173	C	95	Very high	93.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.165	C	C	.	.			trans	-73.1	122.3	179.6	175.4	0	0	0	0	110.8	W73 Q169 L175 V176 S179 F388	W73-C173 HydrophobicContact CD2-CB 4.35Å; W73-C173 HydrophobicContact CH2-CB 4.39Å; W73-C173 HydrophobicContact CZ2-CB 3.82Å; Q169-C173 VanDerWaalsContact O-CB 3.28Å; Q169-C173 WeakPolarHBondContact O-CB 3.27Å; Q169-C173 PolarHBondContact O-N 3.1Å; C173-L175 PolarHBondContact O-N 2.99Å; C173-V176 HydrophobicContact CB-CG2 4.15Å; C173-V176 PolarHBondContact O-N 2.95Å; C173-V176 VanDerWaalsContact O-N 3.13Å; C173-S179 WeakPolarHBondContact O-CB 3.32Å; C173-S179 PolarHBondContact O-OG 2.82Å; C173-F388 HydrophobicContact CB-CE2 4.15Å; C173-F388 HydrophobicContact CB-CZ 3.66Å
174	T	92.8	Very high	93.8	Very high	62 Å²	62	31.3 Å²	31.3	38%	0.38	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-11.8	-176.1	55.8	0	0	0	0	113.6	R70 W73 A172	R70-T174 HydrophobicContact CG-CG2 4.16Å; W73-T174 WeakPolarHBondContact CB-OG1 3.49Å; A172-T174 PolarHBondContact O-N 3.03Å
175	L	93.5	Very high	93.6	Very high	57 Å²	57	31.8 Å²	31.8	30%	0.298	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-20	169.7	-55.6	180	0	0	0	111.6	W73 V76 E77 P86 C173	W73-L175 HydrophobicContact CB-CD2 4.47Å; W73-L175 HydrophobicContact CB-CG 4.21Å; W73-L175 HydrophobicContact CE3-CD1 3.71Å; W73-L175 HydrophobicContact CE3-CG 4.13Å; W73-L175 HydrophobicContact CZ3-CD1 4.28Å; V76-L175 HydrophobicContact CG1-CD1 4.15Å; E77-L175 HydrophobicContact CB-CD2 4.07Å; E77-L175 HydrophobicContact CG-CD2 4.47Å; P86-L175 HydrophobicContact CB-CD1 3.74Å; P86-L175 HydrophobicContact CG-CD1 4.22Å; C173-L175 PolarHBondContact O-N 2.99Å
176	V	93.2	Very high	93.4	Very high	10 Å²	10	33.3 Å²	33.3	6%	0.061	20%	0.195	C	C	.	.	S	Bend	trans	-92.1	114.1	174.7	-167.2	0	0	0	0	109.3	F87 C173 R178 S179 F388	F87-V176 HydrophobicContact CE1-CG2 3.99Å; C173-V176 HydrophobicContact CB-CG2 4.15Å; C173-V176 PolarHBondContact O-N 2.95Å; C173-V176 VanDerWaalsContact O-N 3.13Å; V176-R178 HydrophobicContact CG1-CB 4.49Å; V176-R178 HydrophobicContact CG1-CG 3.64Å; V176-R178 PolarHBondContact O-N 3.34Å; V176-R178 VanDerWaalsContact O-N 3.11Å; V176-S179 VanDerWaalsContact O-CB 3.25Å; V176-S179 WeakPolarHBondContact O-CB 3.47Å; V176-S179 PolarHBondContact O-N 3.29Å; V176-S179 PolarHBondContact O-OG 2.9Å; V176-F388 HydrophobicContact CG2-CE2 3.78Å; V176-F388 HydrophobicContact CG2-CZ 4.2Å
177	S	90.2	Very high	93.2	Very high	98 Å²	98	36.2 Å²	36.2	69%	0.685	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-54.4	-33.7	-177.9	61.9	0	0	0	0	113.6	S179 E180	S177-S179 PolarHBondContact O-N 3.1Å; S177-E180 PolarHBondContact O-N 3.28Å
178	R	90.2	Very high	93.3	Very high	16 Å²	16	36.6 Å²	36.6	6%	0.06	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-66	-21	178.1	80.3	-163.5	162.8	-137.2	-12.1	113.9	G170 V176 E180 R181 F182 E382 E387	G170-R178 WeakPolarHBondContact O-CG 3.32Å; G170-R178 PolarHBondContact O-NE 2.84Å; G170-R178 VanDerWaalsContact O-NE 3.07Å; V176-R178 HydrophobicContact CG1-CB 4.49Å; V176-R178 HydrophobicContact CG1-CG 3.64Å; V176-R178 PolarHBondContact O-N 3.34Å; V176-R178 VanDerWaalsContact O-N 3.11Å; R178-E180 PolarHBondContact O-N 2.57Å; R178-E180 VanDerWaalsContact O-N 3.17Å; R178-R181 VanDerWaalsContact O-CB 3.28Å; R178-R181 WeakPolarHBondContact O-CB 2.87Å; R178-R181 WeakPolarHBondContact O-CG 3.32Å; R178-R181 PolarHBondContact O-N 3.09Å; R178-F182 WeakPolarHBondContact O-CD2 3.13Å; R178-E382 IonicContact CZ-OE2 3.26Å; R178-E382 IonicContact NH1-OE2 3.12Å; R178-E382 PolarHBondContact NH1-OE2 2.82Å; R178-E387 IonicContact NH2-OE2 2.71Å
179	S	92.3	Very high	93.3	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.084	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.9	-27.4	177.8	68.5	0	0	0	0	112.6	C173 V176 S177 R181 F182	C173-S179 WeakPolarHBondContact O-CB 3.32Å; C173-S179 PolarHBondContact O-OG 2.82Å; V176-S179 VanDerWaalsContact O-CB 3.25Å; V176-S179 WeakPolarHBondContact O-CB 3.47Å; V176-S179 PolarHBondContact O-N 3.29Å; V176-S179 PolarHBondContact O-OG 2.9Å; S177-S179 PolarHBondContact O-N 3.1Å; S179-R181 PolarHBondContact O-N 2.75Å; S179-F182 PolarHBondContact O-N 3.48Å
180	E	92	Very high	93.4	Very high	151 Å²	151	35.9 Å²	35.9	71%	0.706	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-62.5	-27.9	176.9	-63.8	-167.6	153.6	0	0	113.1	S177 R178 F182 K343	S177-E180 PolarHBondContact O-N 3.28Å; R178-E180 PolarHBondContact O-N 2.57Å; R178-E180 VanDerWaalsContact O-N 3.17Å; E180-F182 PolarHBondContact O-N 2.88Å; E180-K343 PolarHBondContact O-NZ 2.86Å
181	R	93.7	Very high	93.5	Very high	106 Å²	106	37.1 Å²	37.1	40%	0.4	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-71	-9.2	176.7	-55.3	177.9	-176.5	165.8	3.7	112.8	R178 S179 V192	R178-R181 VanDerWaalsContact O-CB 3.28Å; R178-R181 WeakPolarHBondContact O-CB 2.87Å; R178-R181 WeakPolarHBondContact O-CG 3.32Å; R178-R181 PolarHBondContact O-N 3.09Å; S179-R181 PolarHBondContact O-N 2.75Å; R181-V192 WeakPolarHBondContact O-CB 3.44Å; R181-V192 WeakPolarHBondContact O-CG2 3.41Å; R181-V192 PolarHBondContact O-N 3.15Å
182	F	95.5	Very high	93.5	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.022	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.7	-175.8	-60.6	-79	0	0	0	113.1	R171 R178 S179 E180 A189 Y190 K343 W380 A381	R171-F182 HydrophobicContact CB-CB 4.41Å; R171-F182 HydrophobicContact CB-CD2 4.03Å; R171-F182 HydrophobicContact CB-CG 4.21Å; R171-F182 HydrophobicContact CG-CD2 3.88Å; R171-F182 HydrophobicContact CG-CE2 3.95Å; R171-F182 HydrophobicContact CG-CG 4.28Å; R171-F182 HydrophobicContact CG-CZ 4.39Å; R178-F182 WeakPolarHBondContact O-CD2 3.13Å; S179-F182 PolarHBondContact O-N 3.48Å; E180-F182 PolarHBondContact O-N 2.88Å; F182-A189 HydrophobicContact CB-CB 4.28Å; F182-A189 HydrophobicContact CD1-CB 3.87Å; F182-A189 HydrophobicContact CG-CB 4.25Å; F182-Y190 CarbonylContact C-O 3.5Å; F182-Y190 VanDerWaalsContact CA-O 3.27Å; F182-Y190 WeakPolarHBondContact CA-O 3.16Å; F182-K343 PolarHBondContact O-NZ 2.8Å; F182-W380 AromaticContact CE1-CD1 3.82Å; F182-W380 AromaticContact CZ-CD1 3.56Å; F182-W380 AromaticContact CZ-NE1 3.86Å; F182-A381 HydrophobicContact CZ-CB 4.15Å
183	C	94.8	Very high	93.5	Very high	8 Å²	8	39 Å²	39	5%	0.054	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	108	163.9	177.8	0	0	0	0	107.5	Y190 V192 W207 F233 K343	C183-Y190 PolarHBondContact N-O 2.88Å; C183-Y190 PolarHBondContact O-N 2.87Å; C183-V192 HydrophobicContact CB-CG2 4.47Å; C183-W207 HydrophobicContact CB-CZ3 3.9Å; C183-F233 HydrophobicContact CB-CE1 4.47Å; C183-K343 HydrophobicContact CB-CB 4.26Å; C183-K343 HydrophobicContact CB-CD 4.16Å; C183-K343 HydrophobicContact CB-CG 4.19Å
184	V	94	Very high	93.1	Very high	21 Å²	21	45.6 Å²	45.6	13%	0.127	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.5	-174.5	-177.9	0	0	0	0	110.5	R171 A172 T188 A189	R171-V184 HydrophobicContact CB-CG2 4.32Å; R171-V184 WeakPolarHBondContact O-CG2 3.3Å; A172-V184 HydrophobicContact CB-CG2 4.21Å; V184-T188 WeakPolarHBondContact CA-O 3.41Å; V184-A189 HydrophobicContact CG2-CB 4.15Å
185	V	91.3	Very high	92.7	Very high	48 Å²	48	54 Å²	54	29%	0.291	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.5	177.2	-175.6	0	0	0	0	109.3	S187 T188 Y190	V185-S187 PolarHBondContact O-N 2.81Å; V185-T188 PolarHBondContact N-O 2.79Å; V185-T188 PolarHBondContact O-N 2.84Å; V185-Y190 HydrophobicContact CB-CD2 4.37Å; V185-Y190 HydrophobicContact CB-CE2 4.01Å; V185-Y190 HydrophobicContact CG2-CD2 4.26Å; V185-Y190 HydrophobicContact CG2-CE2 4.29Å
186	G	89.5	Confident	92.4	Very high	55 Å²	55	54.1 Å²	54.1	57%	0.567	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-134.3	-170.6	0	0	0	0	0	110.3	T188	G186-T188 PolarHBondContact O-N 3.13Å
187	S	92.3	Very high	92.2	Very high	60 Å²	60	54.3 Å²	54.3	42%	0.42	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	15.9	178.9	-42.8	0	0	0	0	113.9	V185 F211 I212	V185-S187 PolarHBondContact O-N 2.81Å; S187-F211 WeakPolarHBondContact O-CA 3.32Å; S187-I212 WeakPolarHBondContact CB-O 3.26Å; S187-I212 PolarHBondContact O-N 3.29Å
188	T	96.2	Very high	92.4	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.2	-178.4	-56	0	0	0	0	111.8	V184 V185 G186 Y190 L210	V184-T188 WeakPolarHBondContact CA-O 3.41Å; V185-T188 PolarHBondContact N-O 2.79Å; V185-T188 PolarHBondContact O-N 2.84Å; G186-T188 PolarHBondContact O-N 3.13Å; T188-Y190 HydrophobicContact CG2-CD1 4.08Å; T188-Y190 HydrophobicContact CG2-CD2 4.07Å; T188-Y190 HydrophobicContact CG2-CE1 3.65Å; T188-Y190 HydrophobicContact CG2-CE2 3.67Å; T188-Y190 HydrophobicContact CG2-CG 4.27Å; T188-Y190 VanDerWaalsContact CG2-CZ 3.44Å; T188-L210 WeakPolarHBondContact CA-O 3.42Å
189	A	96.1	Very high	92.5	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.033	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.5	169.7	0	0	0	0	0	109.7	R171 F182 V184 G209 L210	R171-A189 HydrophobicContact CB-CB 4.17Å; R171-A189 HydrophobicContact CG-CB 4.42Å; F182-A189 HydrophobicContact CB-CB 4.28Å; F182-A189 HydrophobicContact CD1-CB 3.87Å; F182-A189 HydrophobicContact CG-CB 4.25Å; V184-A189 HydrophobicContact CG2-CB 4.15Å; A189-G209 CarbonylContact O-C 3.53Å; A189-G209 WeakPolarHBondContact O-CA 3.34Å; A189-L210 PolarHBondContact N-O 3.37Å; A189-L210 PolarHBondContact O-N 3.49Å
190	Y	97	Very high	92.5	Very high	9 Å²	9	55.1 Å²	55.1	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.2	177.1	-62.8	-80.5	0	0	0	110.7	F182 C183 V185 T188 V192 R208 S229 A231 F233	F182-Y190 CarbonylContact C-O 3.5Å; F182-Y190 VanDerWaalsContact CA-O 3.27Å; F182-Y190 WeakPolarHBondContact CA-O 3.16Å; C183-Y190 PolarHBondContact N-O 2.88Å; C183-Y190 PolarHBondContact O-N 2.87Å; V185-Y190 HydrophobicContact CB-CD2 4.37Å; V185-Y190 HydrophobicContact CB-CE2 4.01Å; V185-Y190 HydrophobicContact CG2-CD2 4.26Å; V185-Y190 HydrophobicContact CG2-CE2 4.29Å; T188-Y190 HydrophobicContact CG2-CD1 4.08Å; T188-Y190 HydrophobicContact CG2-CD2 4.07Å; T188-Y190 HydrophobicContact CG2-CE1 3.65Å; T188-Y190 HydrophobicContact CG2-CE2 3.67Å; T188-Y190 HydrophobicContact CG2-CG 4.27Å; T188-Y190 VanDerWaalsContact CG2-CZ 3.44Å; Y190-V192 PolarHBondContact O-N 3.15Å; Y190-R208 WeakPolarHBondContact CA-O 3.15Å; Y190-S229 PolarHBondContact OH-OG 2.95Å; Y190-A231 HydrophobicContact CD1-CB 4.1Å; Y190-A231 HydrophobicContact CE1-CB 3.42Å; Y190-A231 VanDerWaalsContact CE1-CB 3.42Å; Y190-A231 HydrophobicContact CE2-CB 4.19Å; Y190-A231 VanDerWaalsContact CZ-CB 3.47Å; Y190-F233 HydrophobicContact CD1-CE2 4.06Å; Y190-F233 HydrophobicContact CD1-CZ 4.42Å; Y190-F233 HydrophobicContact CD2-CE2 4.17Å; Y190-F233 AromaticContact CD2-CZ 3.72Å; Y190-F233 HydrophobicContact CD2-CZ 3.72Å; Y190-F233 HydrophobicContact CE2-CZ 4.39Å; Y190-F233 AromaticContact CG-CE2 3.8Å; Y190-F233 HydrophobicContact CG-CE2 3.8Å; Y190-F233 AromaticContact CG-CZ 3.73Å; Y190-F233 HydrophobicContact CG-CZ 3.73Å
191	E	95.3	Very high	92.5	Very high	27 Å²	27	52.1 Å²	52.1	13%	0.126	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.9	176.8	-177.6	-177.9	166.6	0	0	110.3	P193 W207 R208	E191-P193 VanDerWaalsContact O-CD 3.3Å; E191-P193 WeakPolarHBondContact O-CD 3.25Å; E191-W207 VanDerWaalsContact O-CE3 3.31Å; E191-R208 HydrophobicContact CB-CG 4.41Å; E191-R208 PolarHBondContact N-O 3.49Å; E191-R208 IonicContact OE1-NH2 2.89Å; E191-R208 PolarHBondContact OE1-NH2 2.98Å; E191-R208 IonicContact OE2-CZ 2.73Å; E191-R208 IonicContact OE2-NE 3.83Å; E191-R208 PolarHBondContact OE2-NE 3.18Å; E191-R208 IonicContact OE2-NH2 3.8Å; E191-R208 PolarHBondContact OE2-NH2 3.21Å
192	V	95.3	Very high	92.4	Very high	24 Å²	24	49.4 Å²	49.4	15%	0.145	28%	0.278	C	S	.	.			trans	-80.3	113.1	172.8	-178	0	0	0	0	107.3	R181 C183 Y190 T194 W207 K343	R181-V192 WeakPolarHBondContact O-CB 3.44Å; R181-V192 WeakPolarHBondContact O-CG2 3.41Å; R181-V192 PolarHBondContact O-N 3.15Å; C183-V192 HydrophobicContact CB-CG2 4.47Å; Y190-V192 PolarHBondContact O-N 3.15Å; V192-T194 PolarHBondContact O-N 3.24Å; V192-W207 HydrophobicContact CB-CH2 4.47Å; V192-W207 HydrophobicContact CB-CZ3 4.41Å; V192-W207 HydrophobicContact CG1-CH2 4.21Å; V192-W207 HydrophobicContact CG2-CH2 4.27Å; V192-W207 HydrophobicContact CG2-CZ3 3.95Å; V192-K343 HydrophobicContact CG2-CD 4.2Å; V192-K343 HydrophobicContact CG2-CG 4.21Å
193	P	92.7	Very high	92.3	Very high	34 Å²	34	49.3 Å²	49.3	22%	0.221	28%	0.278	C	S	.	.			trans	-64.6	136.7	-177	-20.5	32.9	0	0	0	111.4	E191 R195 S196 W207	E191-P193 VanDerWaalsContact O-CD 3.3Å; E191-P193 WeakPolarHBondContact O-CD 3.25Å; P193-R195 VanDerWaalsContact C-N 3.27Å; P193-R195 PolarHBondContact O-N 2.66Å; P193-S196 VanDerWaalsContact CB-C 3.49Å; P193-W207 HydrophobicContact CG-CD2 4.24Å; P193-W207 HydrophobicContact CG-CG 4.14Å; P193-W207 HydrophobicContact CG-CZ2 4.47Å
194	T	87.9	Confident	92.4	Very high	139 Å²	139	49 Å²	49	85%	0.853	28%	0.276	S	S	*	.	S	Bend	trans	-65.6	-29.4	176.6	52.2	0	0	0	0	113.2	V192	V192-T194 PolarHBondContact O-N 3.24Å
195	R	84.5	Confident	92.5	Very high	238 Å²	238	48.3 Å²	48.3	90%	0.898	27%	0.272	S	S	*	.	S	Bend	trans	-120.4	-65.9	177.7	-66.2	-175.4	179	-174.5	0.5	112.3	P193	P193-R195 VanDerWaalsContact C-N 3.27Å; P193-R195 PolarHBondContact O-N 2.66Å
196	S	86	Confident	92.7	Very high	60 Å²	60	46.4 Å²	46.4	42%	0.42	26%	0.259	S	S	.	.			trans	-160.6	149.1	177.7	55.9	0	0	0	0	110.1	P193	P193-S196 VanDerWaalsContact CB-C 3.49Å
197	G	89.6	Confident	93.1	Very high	15 Å²	15	44.1 Å²	44.1	16%	0.155	23%	0.234	C	C	.	.			trans	-75	-174.8	169.4	0	0	0	0	0	112.1	N199 E205	G197-N199 PolarHBondContact O-N 2.88Å; G197-E205 PolarHBondContact N-OE2 2.96Å
198	V	93.3	Very high	93.2	Very high	58 Å²	58	45.5 Å²	45.5	35%	0.352	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.6	176.7	-179.9	0	0	0	0	109.3	L200 E205 L206 Q362	V198-L200 PolarHBondContact O-N 3.34Å; V198-E205 CarbonylContact O-C 3.41Å; V198-E205 WeakPolarHBondContact O-CA 3.42Å; V198-L206 HydrophobicContact CB-CB 4.16Å; V198-L206 PolarHBondContact N-O 3.28Å; V198-L206 VanDerWaalsContact N-O 3.15Å; V198-L206 PolarHBondContact O-N 2.93Å; V198-Q362 HydrophobicContact CB-CG 4.28Å; V198-Q362 HydrophobicContact CG1-CG 3.94Å; V198-Q362 HydrophobicContact CG2-CG 4.08Å
199	N	93.2	Very high	93.2	Very high	83 Å²	83	45 Å²	45	44%	0.444	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	115.1	-174.5	-173.4	-4.3	0	0	0	112.2	G197 K201	G197-N199 PolarHBondContact O-N 2.88Å; N199-K201 WeakPolarHBondContact OD1-CA 3.2Å; N199-K201 PolarHBondContact OD1-N 3Å
200	L	93.3	Very high	93.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.225	C	C	.	.			trans	-96.1	14.4	174.2	-61.9	-179.5	0	0	0	112.7	V198 V204 L206 A232 L351 Q355 L358 V359	V198-L200 PolarHBondContact O-N 3.34Å; L200-V204 WeakPolarHBondContact CA-O 3.25Å; L200-V204 HydrophobicContact CB-CB 4.25Å; L200-V204 HydrophobicContact CB-CG1 4.28Å; L200-V204 WeakPolarHBondContact CB-O 3Å; L200-V204 HydrophobicContact CD1-CG1 4.12Å; L200-V204 PolarHBondContact N-O 2.78Å; L200-L206 HydrophobicContact CD1-CB 3.94Å; L200-L206 HydrophobicContact CD1-CD1 4.14Å; L200-L206 HydrophobicContact CD2-CB 4.24Å; L200-L206 HydrophobicContact CG-CB 4.05Å; L200-A232 HydrophobicContact CD1-CB 3.97Å; L200-L351 HydrophobicContact CD1-CD2 4.47Å; L200-Q355 VanDerWaalsContact O-CG 3.27Å; L200-Q355 WeakPolarHBondContact O-CG 3.39Å; L200-Q355 PolarHBondContact O-NE2 3.31Å; L200-L358 HydrophobicContact CD2-CB 3.85Å; L200-V359 HydrophobicContact CD1-CG2 3.59Å; L200-V359 HydrophobicContact CD2-CG2 3.79Å; L200-V359 HydrophobicContact CG-CG2 4.36Å
201	K	90.8	Very high	93.2	Very high	88 Å²	88	45.3 Å²	45.3	38%	0.383	23%	0.227	S	C	.	.	S	Bend	trans	60.3	175.8	-172.2	-54.1	-66.3	-174.9	172.7	0	112.4	N199 G203 V204 Y354 Q355	N199-K201 WeakPolarHBondContact OD1-CA 3.2Å; N199-K201 PolarHBondContact OD1-N 3Å; K201-G203 PolarHBondContact O-N 2.76Å; K201-G203 VanDerWaalsContact O-N 3.13Å; K201-V204 WeakPolarHBondContact O-CB 3.35Å; K201-V204 PolarHBondContact O-N 2.93Å; K201-Y354 HydrophobicContact CB-CE1 4.48Å; K201-Y354 HydrophobicContact CG-CE1 3.9Å; K201-Q355 PolarHBondContact O-NE2 2.98Å
202	F	92.2	Very high	93.2	Very high	50 Å²	50	44.5 Å²	44.5	22%	0.219	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	27.2	178.9	-51.6	-93.9	0	0	0	114.3	V204 G249 Y354 Q355	F202-V204 VanDerWaalsContact C-N 3.26Å; F202-V204 PolarHBondContact O-N 2.76Å; F202-G249 VanDerWaalsContact CZ-CA 3.49Å; F202-Y354 HydrophobicContact CE2-CD1 4.41Å; F202-Q355 HydrophobicContact CD2-CG 4.12Å; F202-Q355 HydrophobicContact CE2-CG 4.43Å
203	G	93.6	Very high	93.2	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	20.6	-178.1	0	0	0	0	0	114	K201 R235 S245	K201-G203 PolarHBondContact O-N 2.76Å; K201-G203 VanDerWaalsContact O-N 3.13Å; G203-R235 PolarHBondContact O-N 3.13Å; G203-S245 VanDerWaalsContact N-CB 3.32Å
204	V	95.7	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.8	179	-173.1	0	0	0	0	109.2	L200 K201 F202 A232 F233 Y346 L351	L200-V204 WeakPolarHBondContact CA-O 3.25Å; L200-V204 HydrophobicContact CB-CB 4.25Å; L200-V204 HydrophobicContact CB-CG1 4.28Å; L200-V204 WeakPolarHBondContact CB-O 3Å; L200-V204 HydrophobicContact CD1-CG1 4.12Å; L200-V204 PolarHBondContact N-O 2.78Å; K201-V204 WeakPolarHBondContact O-CB 3.35Å; K201-V204 PolarHBondContact O-N 2.93Å; F202-V204 VanDerWaalsContact C-N 3.26Å; F202-V204 PolarHBondContact O-N 2.76Å; V204-A232 HydrophobicContact CG1-CB 3.81Å; V204-F233 WeakPolarHBondContact CA-O 3.35Å; V204-F233 WeakPolarHBondContact CG1-O 3.5Å; V204-Y346 HydrophobicContact CG1-CD1 3.99Å; V204-Y346 HydrophobicContact CG1-CD2 4.25Å; V204-Y346 HydrophobicContact CG1-CG 3.79Å; V204-Y346 HydrophobicContact CG2-CD1 4.19Å; V204-Y346 HydrophobicContact CG2-CD2 3.51Å; V204-Y346 HydrophobicContact CG2-CE1 4.18Å; V204-Y346 HydrophobicContact CG2-CE2 3.54Å; V204-Y346 HydrophobicContact CG2-CG 3.87Å; V204-L351 HydrophobicContact CG1-CD2 4.43Å
205	E	96	Very high	93.4	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.7	174.9	57.5	-178.5	-161.9	0	0	111.5	G197 V198 W207 A232 F233 R235	G197-E205 PolarHBondContact N-OE2 2.96Å; V198-E205 CarbonylContact O-C 3.41Å; V198-E205 WeakPolarHBondContact O-CA 3.42Å; E205-W207 PolarHBondContact OE1-NE1 2.86Å; E205-A232 CarbonylContact O-C 3.54Å; E205-A232 WeakPolarHBondContact O-CA 3.25Å; E205-F233 PolarHBondContact N-O 2.96Å; E205-F233 PolarHBondContact O-N 2.9Å; E205-R235 HydrophobicContact CG-CB 4.12Å
206	L	96.6	Very high	93.5	Very high	7 Å²	7	31 Å²	31	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.6	177	-166.8	71.1	0	0	0	109.7	V198 L200 H230 V359 Q362	V198-L206 HydrophobicContact CB-CB 4.16Å; V198-L206 PolarHBondContact N-O 3.28Å; V198-L206 VanDerWaalsContact N-O 3.15Å; V198-L206 PolarHBondContact O-N 2.93Å; L200-L206 HydrophobicContact CD1-CB 3.94Å; L200-L206 HydrophobicContact CD1-CD1 4.14Å; L200-L206 HydrophobicContact CD2-CB 4.24Å; L200-L206 HydrophobicContact CG-CB 4.05Å; L206-H230 HydrophobicContact CD1-CB 3.97Å; L206-H230 HydrophobicContact CD2-CB 4.15Å; L206-H230 HydrophobicContact CG-CB 4.11Å; L206-V359 HydrophobicContact CD1-CG1 4.06Å; L206-V359 HydrophobicContact CD1-CG2 4.03Å; L206-V359 HydrophobicContact CD2-CG1 4.48Å; L206-Q362 HydrophobicContact CD2-CB 3.89Å; L206-Q362 HydrophobicContact CD2-CG 3.77Å
207	W	96.7	Very high	93.6	Very high	8 Å²	8	28.1 Å²	28.1	3%	0.03	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141.3	173.2	-63.2	4.6	0	0	0	109.7	C183 E191 V192 P193 E205 H230 A231 F233 K343	C183-W207 HydrophobicContact CB-CZ3 3.9Å; E191-W207 VanDerWaalsContact O-CE3 3.31Å; V192-W207 HydrophobicContact CB-CH2 4.47Å; V192-W207 HydrophobicContact CB-CZ3 4.41Å; V192-W207 HydrophobicContact CG1-CH2 4.21Å; V192-W207 HydrophobicContact CG2-CH2 4.27Å; V192-W207 HydrophobicContact CG2-CZ3 3.95Å; P193-W207 HydrophobicContact CG-CD2 4.24Å; P193-W207 HydrophobicContact CG-CG 4.14Å; P193-W207 HydrophobicContact CG-CZ2 4.47Å; E205-W207 PolarHBondContact OE1-NE1 2.86Å; W207-H230 VanDerWaalsContact O-CA 3.31Å; W207-H230 WeakPolarHBondContact O-CA 3.18Å; W207-A231 PolarHBondContact N-O 3.39Å; W207-A231 PolarHBondContact O-N 3.28Å; W207-A231 VanDerWaalsContact O-N 3.1Å; W207-F233 HydrophobicContact CB-CD2 3.65Å; W207-F233 HydrophobicContact CB-CE2 3.77Å; W207-F233 HydrophobicContact CD2-CB 3.95Å; W207-F233 HydrophobicContact CD2-CD1 4.09Å; W207-F233 AromaticContact CD2-CD2 3.4Å; W207-F233 HydrophobicContact CD2-CD2 3.4Å; W207-F233 VanDerWaalsContact CD2-CD2 3.4Å; W207-F233 HydrophobicContact CD2-CE1 4.48Å; W207-F233 AromaticContact CD2-CE2 3.87Å; W207-F233 HydrophobicContact CD2-CE2 3.87Å; W207-F233 AromaticContact CD2-CG 3.54Å; W207-F233 HydrophobicContact CD2-CG 3.54Å; W207-F233 HydrophobicContact CD2-CZ 4.39Å; W207-F233 AromaticContact CE2-CG 3.79Å; W207-F233 AromaticContact CE3-CD1 3.82Å; W207-F233 HydrophobicContact CE3-CD1 3.82Å; W207-F233 AromaticContact CE3-CD2 3.68Å; W207-F233 HydrophobicContact CE3-CD2 3.68Å; W207-F233 AromaticContact CE3-CE1 3.85Å; W207-F233 HydrophobicContact CE3-CE1 3.85Å; W207-F233 AromaticContact CE3-CE2 3.71Å; W207-F233 HydrophobicContact CE3-CE2 3.71Å; W207-F233 AromaticContact CE3-CG 3.75Å; W207-F233 HydrophobicContact CE3-CG 3.75Å; W207-F233 AromaticContact CE3-CZ 3.8Å; W207-F233 HydrophobicContact CE3-CZ 3.8Å; W207-F233 HydrophobicContact CG-CB 4.26Å; W207-F233 AromaticContact CG-CD2 3.4Å; W207-F233 HydrophobicContact CG-CD2 3.4Å; W207-F233 VanDerWaalsContact CG-CD2 3.4Å; W207-F233 AromaticContact CG-CE2 3.94Å; W207-F233 HydrophobicContact CG-CE2 3.94Å; W207-F233 AromaticContact CG-CG 3.96Å; W207-F233 HydrophobicContact CG-CG 3.96Å; W207-F233 HydrophobicContact CH2-CD1 4.18Å; W207-F233 HydrophobicContact CH2-CG 4.43Å; W207-F233 HydrophobicContact CZ2-CB 4.09Å; W207-F233 HydrophobicContact CZ2-CD1 4.4Å; W207-F233 HydrophobicContact CZ2-CG 4.24Å; W207-F233 AromaticContact CZ3-CD1 3.87Å; W207-F233 HydrophobicContact CZ3-CD1 3.87Å; W207-F233 AromaticContact CZ3-CE1 3.95Å; W207-F233 HydrophobicContact CZ3-CE1 3.95Å; W207-F233 HydrophobicContact CZ3-CG 4.19Å; W207-F233 HydrophobicContact CZ3-CZ 4.33Å; W207-K343 HydrophobicContact CH2-CG 4.23Å; W207-K343 HydrophobicContact CZ3-CG 4.45Å
208	R	95.2	Very high	93.3	Very high	89 Å²	89	28.2 Å²	28.2	34%	0.336	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	149.8	167.1	65.7	178.7	178.9	178.6	3	109.7	Y190 E191 S229 M377	Y190-R208 WeakPolarHBondContact CA-O 3.15Å; E191-R208 HydrophobicContact CB-CG 4.41Å; E191-R208 PolarHBondContact N-O 3.49Å; E191-R208 IonicContact OE1-NH2 2.89Å; E191-R208 PolarHBondContact OE1-NH2 2.98Å; E191-R208 IonicContact OE2-CZ 2.73Å; E191-R208 IonicContact OE2-NE 3.83Å; E191-R208 PolarHBondContact OE2-NE 3.18Å; E191-R208 IonicContact OE2-NH2 3.8Å; E191-R208 PolarHBondContact OE2-NH2 3.21Å; R208-S229 CarbonylContact C-O 3.58Å; R208-M377 HydrophobicContact CB-CE 4.47Å; R208-M377 HydrophobicContact CB-SD 4.34Å; R208-M377 HydrophobicContact CG-CE 4.05Å; R208-M377 HydrophobicContact CG-SD 4.26Å
209	G	95.9	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.5	179.7	0	0	0	0	0	112	A189 S229	A189-G209 CarbonylContact O-C 3.53Å; A189-G209 WeakPolarHBondContact O-CA 3.34Å; G209-S229 PolarHBondContact N-O 2.87Å; G209-S229 PolarHBondContact O-N 2.84Å
210	L	96.4	Very high	92	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.7	176.1	-168.7	59.7	0	0	0	108.8	T188 A189 I212 I226 M377 M378 A381 L383	T188-L210 WeakPolarHBondContact CA-O 3.42Å; A189-L210 PolarHBondContact N-O 3.37Å; A189-L210 PolarHBondContact O-N 3.49Å; L210-I212 HydrophobicContact CD2-CD1 3.79Å; L210-I212 HydrophobicContact CD2-CG1 4.16Å; L210-I212 HydrophobicContact CG-CD1 4.04Å; L210-I212 HydrophobicContact CG-CG1 3.84Å; L210-I226 HydrophobicContact CD1-CG2 3.31Å; L210-I226 HydrophobicContact CG-CG2 4.08Å; L210-M377 HydrophobicContact CB-CB 4.31Å; L210-M377 HydrophobicContact CB-CE 4.08Å; L210-M377 HydrophobicContact CD1-CB 3.78Å; L210-M377 HydrophobicContact CD2-CB 4.29Å; L210-M377 HydrophobicContact CG-CB 4.37Å; L210-M378 HydrophobicContact CD2-CG 4.2Å; L210-A381 HydrophobicContact CD2-CB 4.03Å; L210-L383 HydrophobicContact CD2-CD1 3.78Å
211	F	97	Very high	91.6	Very high	18 Å²	18	29.8 Å²	29.8	8%	0.079	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.5	167.1	173.3	-87.4	0	0	0	108.4	S187 I226 D227 H715	S187-F211 WeakPolarHBondContact O-CA 3.32Å; F211-I226 WeakPolarHBondContact O-CA 3.42Å; F211-D227 HydrophobicContact CB-CB 4.31Å; F211-D227 WeakPolarHBondContact CB-O 3.23Å; F211-D227 HydrophobicContact CD1-CB 4.27Å; F211-D227 PolarHBondContact N-O 3.48Å; F211-D227 PolarHBondContact O-N 2.93Å; F211-H715 HydrophobicContact CD1-CB 3.71Å; F211-H715 AromaticContact CD1-CD2 3.84Å; F211-H715 AromaticContact CD1-CG 3.52Å; F211-H715 AromaticContact CD1-ND1 3.87Å; F211-H715 AromaticContact CD2-CD2 3.66Å; F211-H715 AromaticContact CD2-CE1 3.87Å; F211-H715 AromaticContact CD2-NE2 3.53Å; F211-H715 HydrophobicContact CE1-CB 3.55Å; F211-H715 AromaticContact CE1-CD2 3.63Å; F211-H715 AromaticContact CE1-CG 3.57Å; F211-H715 AromaticContact CE2-CD2 3.44Å; F211-H715 VanDerWaalsContact CE2-CD2 3.44Å; F211-H715 WeakPolarHBondContact CE2-CD2 3.13Å; F211-H715 AromaticContact CE2-NE2 3.66Å; F211-H715 HydrophobicContact CG-CB 4.48Å; F211-H715 AromaticContact CG-CD2 3.86Å; F211-H715 AromaticContact CG-CE1 3.83Å; F211-H715 AromaticContact CG-CG 3.81Å; F211-H715 AromaticContact CG-ND1 3.81Å; F211-H715 AromaticContact CG-NE2 3.9Å; F211-H715 HydrophobicContact CZ-CB 4.19Å; F211-H715 AromaticContact CZ-CD2 3.42Å; F211-H715 VanDerWaalsContact CZ-CD2 3.42Å; F211-H715 WeakPolarHBondContact CZ-CD2 3.31Å; F211-H715 AromaticContact CZ-CG 3.89Å
212	I	96.1	Very high	91.7	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.051	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.6	176.7	-54.1	-175	0	0	0	107.8	L167 S187 L210 V224 N225 I226 L383	L167-I212 HydrophobicContact CB-CG2 4.32Å; L167-I212 HydrophobicContact CD1-CG2 3.97Å; L167-I212 HydrophobicContact CD2-CG2 4.4Å; L167-I212 HydrophobicContact CG-CG2 4.48Å; S187-I212 WeakPolarHBondContact CB-O 3.26Å; S187-I212 PolarHBondContact O-N 3.29Å; L210-I212 HydrophobicContact CD2-CD1 3.79Å; L210-I212 HydrophobicContact CD2-CG1 4.16Å; L210-I212 HydrophobicContact CG-CD1 4.04Å; L210-I212 HydrophobicContact CG-CG1 3.84Å; I212-V224 HydrophobicContact CG2-CG1 3.5Å; I212-V224 VanDerWaalsContact CG2-CG1 3.5Å; I212-N225 WeakPolarHBondContact CA-O 3.07Å; I212-I226 HydrophobicContact CG1-CG1 4.37Å; I212-I226 HydrophobicContact CG2-CG1 4.37Å; I212-L383 HydrophobicContact CD1-CD1 3.53Å; I212-L383 HydrophobicContact CD1-CD2 3.85Å; I212-L383 HydrophobicContact CD1-CG 4.26Å
213	S	94.7	Very high	91.8	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.028	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	136.5	168.6	-167	0	0	0	0	112.5	D164 R215 N225	D164-S213 WeakPolarHBondContact OD1-CA 3.48Å; D164-S213 PolarHBondContact OD1-OG 3.41Å; D164-S213 PolarHBondContact OD2-OG 2.74Å; D164-S213 VanDerWaalsContact OD2-OG 3.07Å; S213-R215 PolarHBondContact OG-NH1 2.76Å; S213-N225 PolarHBondContact N-O 3.12Å; S213-N225 PolarHBondContact O-N 3.47Å
214	A	93.7	Very high	91.9	Very high	4 Å²	4	25 Å²	25	3%	0.033	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	141.9	172.2	0	0	0	0	0	110.7	V160 V163 D164 L167 L223	V160-A214 HydrophobicContact CG1-CB 4.04Å; V160-A214 WeakPolarHBondContact CG1-O 3.39Å; V163-A214 HydrophobicContact CB-CB 3.93Å; V163-A214 HydrophobicContact CG1-CB 3.66Å; D164-A214 PolarHBondContact OD1-N 3.02Å; L167-A214 HydrophobicContact CD1-CB 4.32Å; A214-L223 CarbonylContact C-O 3.52Å; A214-L223 WeakPolarHBondContact CA-O 3.41Å
215	R	90.2	Very high	91.9	Very high	100 Å²	100	25.2 Å²	25.2	38%	0.377	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	152	-177.3	-69.6	-67.7	-179	-94.2	1.3	109.5	F36 S213 L223 N225	F36-R215 HydrophobicContact CE1-CB 4.07Å; F36-R215 HydrophobicContact CE1-CG 3.98Å; S213-R215 PolarHBondContact OG-NH1 2.76Å; R215-L223 HydrophobicContact CB-CB 4.3Å; R215-L223 PolarHBondContact N-O 3.25Å; R215-L223 PolarHBondContact O-N 2.8Å; R215-N225 HydrophobicContact CG-CB 4.19Å
216	V	87.1	Confident	91.9	Very high	43 Å²	43	24.9 Å²	24.9	26%	0.261	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.8	170.8	-176.4	0	0	0	0	107	V160 Y220 A746	V160-V216 HydrophobicContact CG2-CG2 3.94Å; V216-Y220 HydrophobicContact CG1-CD1 4.38Å; V216-A746 HydrophobicContact CG1-CB 4.31Å
217	G	87.5	Confident	91.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	178.7	174.2	0	0	0	0	0	112.1	Y220 R221 T744	G217-Y220 CarbonylContact O-C 3.53Å; G217-Y220 VanDerWaalsContact O-CA 3.32Å; G217-Y220 WeakPolarHBondContact O-CA 3.32Å; G217-Y220 PolarHBondContact O-N 2.81Å; G217-R221 PolarHBondContact N-O 2.81Å; G217-R221 PolarHBondContact O-N 2.83Å; G217-T744 CarbonylContact C-O 3.54Å; G217-T744 WeakPolarHBondContact CA-O 3.48Å
218	E	83.8	Confident	91.9	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.075	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-46.9	138.8	177.9	175.6	-167.7	-125.3	0	0	112	Y23 Y220 R221 R742 T744	Y23-E218 WeakPolarHBondContact CE1-OE1 3.45Å; Y23-E218 PolarHBondContact OH-OE1 3.11Å; E218-Y220 PolarHBondContact O-N 2.96Å; E218-R221 WeakPolarHBondContact O-CB 3.07Å; E218-R221 WeakPolarHBondContact O-CG 3.48Å; E218-R221 PolarHBondContact O-N 3.48Å; E218-R221 PolarHBondContact O-NE 3.5Å; E218-R221 PolarHBondContact O-NH2 2.89Å; E218-R221 IonicContact OE2-CZ 3.71Å; E218-R221 IonicContact OE2-NH2 2.66Å; E218-R221 PolarHBondContact OE2-NH2 2.89Å; E218-R742 PolarHBondContact N-O 3.46Å; E218-R742 WeakPolarHBondContact OE2-CA 3.31Å; E218-R742 PolarHBondContact OE2-N 3.23Å; E218-T744 PolarHBondContact N-O 2.66Å
219	G	79.1	Confident	91.9	Very high	41 Å²	41	20.9 Å²	20.9	42%	0.423	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	67.2	23.8	-176.6	0	0	0	0	0	112.6	R221	G219-R221 PolarHBondContact O-N 2.86Å
220	Y	80.5	Confident	91.8	Very high	52 Å²	52	23 Å²	23	20%	0.204	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	59.1	33.9	-177.3	-58.7	-100.4	0	0	0	112.9	K143 E156 V216 G217 E218 A746	K143-Y220 HydrophobicContact CB-CG 4.31Å; K143-Y220 HydrophobicContact CD-CD2 3.37Å; K143-Y220 HydrophobicContact CD-CE2 4.21Å; K143-Y220 HydrophobicContact CD-CG 3.74Å; E156-Y220 VanDerWaalsContact OE1-CE1 3.23Å; E156-Y220 WeakPolarHBondContact OE1-CE1 3.41Å; V216-Y220 HydrophobicContact CG1-CD1 4.38Å; G217-Y220 CarbonylContact O-C 3.53Å; G217-Y220 VanDerWaalsContact O-CA 3.32Å; G217-Y220 WeakPolarHBondContact O-CA 3.32Å; G217-Y220 PolarHBondContact O-N 2.81Å; E218-Y220 PolarHBondContact O-N 2.96Å; Y220-A746 HydrophobicContact CD1-CB 4.09Å; Y220-A746 HydrophobicContact CD2-CB 4.07Å; Y220-A746 HydrophobicContact CE1-CB 4.17Å; Y220-A746 HydrophobicContact CE2-CB 4.13Å; Y220-A746 HydrophobicContact CG-CB 4.06Å
221	R	86	Confident	91.8	Very high	82 Å²	82	23.3 Å²	23.3	31%	0.309	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.1	178	-82.7	-178.6	-95.6	-91.1	2.5	110	G217 E218 G219 L223	G217-R221 PolarHBondContact N-O 2.81Å; G217-R221 PolarHBondContact O-N 2.83Å; E218-R221 WeakPolarHBondContact O-CB 3.07Å; E218-R221 WeakPolarHBondContact O-CG 3.48Å; E218-R221 PolarHBondContact O-N 3.48Å; E218-R221 PolarHBondContact O-NE 3.5Å; E218-R221 PolarHBondContact O-NH2 2.89Å; E218-R221 IonicContact OE2-CZ 3.71Å; E218-R221 IonicContact OE2-NH2 2.66Å; E218-R221 PolarHBondContact OE2-NH2 2.89Å; G219-R221 PolarHBondContact O-N 2.86Å; R221-L223 PolarHBondContact O-N 2.79Å
222	P	91.1	Very high	91.8	Very high	38 Å²	38	22.8 Å²	22.8	25%	0.247	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.9	177	35.9	-40.6	0	0	0	110.1	L39 F142	L39-P222 HydrophobicContact CB-CB 4.06Å; L39-P222 HydrophobicContact CB-CG 4.48Å; L39-P222 HydrophobicContact CD2-CB 4.28Å; L39-P222 PolarHBondContact N-O 2.85Å; L39-P222 VanDerWaalsContact O-CG 3.25Å; L39-P222 WeakPolarHBondContact O-CG 3.07Å; F142-P222 HydrophobicContact CD1-CB 4.04Å; F142-P222 HydrophobicContact CD1-CG 3.53Å; F142-P222 HydrophobicContact CE1-CB 3.72Å; F142-P222 HydrophobicContact CE1-CG 3.51Å
223	L	94.2	Very high	91.9	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.2	-175	-61.3	176.3	0	0	0	111.2	F36 L37 E38 A214 R215 R221 V401 V743	F36-L223 HydrophobicContact CD1-CB 3.97Å; F36-L223 HydrophobicContact CD1-CD1 4.05Å; L37-L223 CarbonylContact O-C 3.58Å; L37-L223 VanDerWaalsContact O-CA 3.29Å; L37-L223 WeakPolarHBondContact O-CA 3.24Å; E38-L223 HydrophobicContact CG-CD2 4.11Å; A214-L223 CarbonylContact C-O 3.52Å; A214-L223 WeakPolarHBondContact CA-O 3.41Å; R215-L223 HydrophobicContact CB-CB 4.3Å; R215-L223 PolarHBondContact N-O 3.25Å; R215-L223 PolarHBondContact O-N 2.8Å; R221-L223 PolarHBondContact O-N 2.79Å; L223-V401 HydrophobicContact CD2-CG2 4.01Å; L223-V743 HydrophobicContact CD1-CB 4.24Å; L223-V743 HydrophobicContact CD1-CG1 4.01Å
224	V	96	Very high	91.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.3	169.5	-172.5	0	0	0	0	108.1	F36 L37 L39 L167 I212 I226 I396	F36-V224 CarbonylContact C-O 3.49Å; F36-V224 WeakPolarHBondContact CA-O 3.11Å; L37-V224 PolarHBondContact N-O 3.3Å; L37-V224 PolarHBondContact O-N 2.85Å; L39-V224 HydrophobicContact CB-CG2 4.01Å; L39-V224 HydrophobicContact CD1-CG2 3.98Å; L167-V224 HydrophobicContact CD1-CG1 4Å; L167-V224 HydrophobicContact CD1-CG2 4.18Å; L167-V224 HydrophobicContact CD2-CG1 4.46Å; L167-V224 HydrophobicContact CD2-CG2 4.48Å; I212-V224 HydrophobicContact CG2-CG1 3.5Å; I212-V224 VanDerWaalsContact CG2-CG1 3.5Å; V224-I226 HydrophobicContact CG1-CD1 4.07Å; V224-I226 HydrophobicContact CG1-CG1 3.83Å; V224-I396 HydrophobicContact CG2-CG1 4.46Å
225	N	96.5	Very high	92	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.6	173	-173.2	-20.7	0	0	0	109.5	N35 F36 I212 S213 R215 H715 A716	N35-N225 PolarHBondContact ND2-OD1 3.44Å; F36-N225 HydrophobicContact CD1-CB 3.82Å; F36-N225 HydrophobicContact CE1-CB 3.67Å; F36-N225 HydrophobicContact CZ-CB 4.24Å; I212-N225 WeakPolarHBondContact CA-O 3.07Å; S213-N225 PolarHBondContact N-O 3.12Å; S213-N225 PolarHBondContact O-N 3.47Å; R215-N225 HydrophobicContact CG-CB 4.19Å; N225-H715 PolarHBondContact OD1-O 3.02Å; N225-A716 PolarHBondContact ND2-N 3.24Å
226	I	96.5	Very high	92.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.5	-178.2	-61.3	-175	0	0	0	110.1	N35 L37 L210 F211 I212 V224 C374 M378 L383	N35-I226 VanDerWaalsContact CB-O 3.3Å; N35-I226 WeakPolarHBondContact CB-O 3.3Å; N35-I226 PolarHBondContact ND2-O 3.35Å; N35-I226 PolarHBondContact O-N 2.92Å; L37-I226 HydrophobicContact CD1-CD1 3.54Å; L37-I226 HydrophobicContact CG-CD1 4.47Å; L210-I226 HydrophobicContact CD1-CG2 3.31Å; L210-I226 HydrophobicContact CG-CG2 4.08Å; F211-I226 WeakPolarHBondContact O-CA 3.42Å; I212-I226 HydrophobicContact CG1-CG1 4.37Å; I212-I226 HydrophobicContact CG2-CG1 4.37Å; V224-I226 HydrophobicContact CG1-CD1 4.07Å; V224-I226 HydrophobicContact CG1-CG1 3.83Å; I226-C374 HydrophobicContact CG2-CB 4.44Å; I226-M378 HydrophobicContact CD1-CG 3.99Å; I226-M378 HydrophobicContact CD1-SD 3.31Å; I226-M378 WeakPolarHBondContact CD1-SD 3.41Å; I226-M378 HydrophobicContact CG1-SD 4.47Å; I226-M378 HydrophobicContact CG2-CG 3.9Å; I226-M378 HydrophobicContact CG2-SD 4.11Å; I226-L383 HydrophobicContact CD1-CD1 4.12Å
227	D	96.8	Very high	92.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.1	-175.5	-165.3	26	0	0	0	112.5	F211 S229 R370 H715 R717	F211-D227 HydrophobicContact CB-CB 4.31Å; F211-D227 WeakPolarHBondContact CB-O 3.23Å; F211-D227 HydrophobicContact CD1-CB 4.27Å; F211-D227 PolarHBondContact N-O 3.48Å; F211-D227 PolarHBondContact O-N 2.93Å; D227-S229 PolarHBondContact O-N 3.48Å; D227-R370 IonicContact OD1-CZ 3.78Å; D227-R370 IonicContact OD1-NE 2.69Å; D227-R370 PolarHBondContact OD1-NE 3.49Å; D227-R370 IonicContact OD1-NH2 2.61Å; D227-R370 PolarHBondContact OD1-NH2 2.85Å; D227-R370 IonicContact OD2-CZ 3.48Å; D227-R370 IonicContact OD2-NE 3.79Å; D227-R370 IonicContact OD2-NH2 3.72Å; D227-R370 PolarHBondContact OD2-NH2 2.91Å; D227-H715 HydrophobicContact CB-CB 4.09Å; D227-H715 IonicContact OD2-CE1 2.93Å; D227-H715 IonicContact OD2-CG 3.88Å; D227-H715 IonicContact OD2-ND1 3.16Å; D227-H715 PolarHBondContact OD2-ND1 3.39Å; D227-R717 IonicContact OD2-NH2 2.96Å
228	V	95.5	Very high	93	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.3	172.8	177.1	0	0	0	0	109.5	H230 R370 M373 M377	V228-H230 WeakPolarHBondContact CG1-CE1 3.26Å; V228-R370 PolarHBondContact O-NH1 2.97Å; V228-R370 PolarHBondContact O-NH2 3.02Å; V228-M373 HydrophobicContact CG1-CE 4.25Å; V228-M373 HydrophobicContact CG2-CB 3.66Å; V228-M377 HydrophobicContact CG2-SD 4.4Å
229	S	94.8	Very high	93.6	Very high	18 Å²	18	24.2 Å²	24.2	13%	0.126	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	158.4	171.1	177	0	0	0	0	110.6	Y190 R208 G209 D227	Y190-S229 PolarHBondContact OH-OG 2.95Å; R208-S229 CarbonylContact C-O 3.58Å; G209-S229 PolarHBondContact N-O 2.87Å; G209-S229 PolarHBondContact O-N 2.84Å; D227-S229 PolarHBondContact O-N 3.48Å
230	H	95.1	Very high	94.3	Very high	44 Å²	44	22.6 Å²	22.6	20%	0.204	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144	170.6	-61.9	84.4	0	0	0	110.2	L206 W207 V228 C363	L206-H230 HydrophobicContact CD1-CB 3.97Å; L206-H230 HydrophobicContact CD2-CB 4.15Å; L206-H230 HydrophobicContact CG-CB 4.11Å; W207-H230 VanDerWaalsContact O-CA 3.31Å; W207-H230 WeakPolarHBondContact O-CA 3.18Å; V228-H230 WeakPolarHBondContact CG1-CE1 3.26Å; H230-C363 VanDerWaalsContact CG-SG 3.52Å
231	A	96	Very high	95	Very high	7 Å²	7	23.6 Å²	23.6	6%	0.058	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.1	172.1	0	0	0	0	0	111	Y190 W207 F233	Y190-A231 HydrophobicContact CD1-CB 4.1Å; Y190-A231 HydrophobicContact CE1-CB 3.42Å; Y190-A231 VanDerWaalsContact CE1-CB 3.42Å; Y190-A231 HydrophobicContact CE2-CB 4.19Å; Y190-A231 VanDerWaalsContact CZ-CB 3.47Å; W207-A231 PolarHBondContact N-O 3.39Å; W207-A231 PolarHBondContact O-N 3.28Å; W207-A231 VanDerWaalsContact O-N 3.1Å; A231-F233 HydrophobicContact CB-CE2 3.83Å; A231-F233 VanDerWaalsContact O-CD2 3.32Å; A231-F233 WeakPolarHBondContact O-CD2 3.26Å
232	A	96.8	Very high	95.5	Very high	7 Å²	7	19.9 Å²	19.9	6%	0.058	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.1	176.7	0	0	0	0	0	110.4	L200 V204 E205 Y346 L351	L200-A232 HydrophobicContact CD1-CB 3.97Å; V204-A232 HydrophobicContact CG1-CB 3.81Å; E205-A232 CarbonylContact O-C 3.54Å; E205-A232 WeakPolarHBondContact O-CA 3.25Å; A232-Y346 HydrophobicContact CB-CD1 4.36Å; A232-Y346 PolarHBondContact O-N 3.13Å; A232-L351 HydrophobicContact CB-CD1 4.39Å; A232-L351 HydrophobicContact CB-CD2 3.93Å
233	F	97.2	Very high	95.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.6	177.4	-71.9	-98.3	0	0	0	109.8	C183 Y190 V204 E205 W207 A231 R235 Q344 R345	C183-F233 HydrophobicContact CB-CE1 4.47Å; Y190-F233 HydrophobicContact CD1-CE2 4.06Å; Y190-F233 HydrophobicContact CD1-CZ 4.42Å; Y190-F233 HydrophobicContact CD2-CE2 4.17Å; Y190-F233 AromaticContact CD2-CZ 3.72Å; Y190-F233 HydrophobicContact CD2-CZ 3.72Å; Y190-F233 HydrophobicContact CE2-CZ 4.39Å; Y190-F233 AromaticContact CG-CE2 3.8Å; Y190-F233 HydrophobicContact CG-CE2 3.8Å; Y190-F233 AromaticContact CG-CZ 3.73Å; Y190-F233 HydrophobicContact CG-CZ 3.73Å; V204-F233 WeakPolarHBondContact CA-O 3.35Å; V204-F233 WeakPolarHBondContact CG1-O 3.5Å; E205-F233 PolarHBondContact N-O 2.96Å; E205-F233 PolarHBondContact O-N 2.9Å; W207-F233 HydrophobicContact CB-CD2 3.65Å; W207-F233 HydrophobicContact CB-CE2 3.77Å; W207-F233 HydrophobicContact CD2-CB 3.95Å; W207-F233 HydrophobicContact CD2-CD1 4.09Å; W207-F233 AromaticContact CD2-CD2 3.4Å; W207-F233 HydrophobicContact CD2-CD2 3.4Å; W207-F233 VanDerWaalsContact CD2-CD2 3.4Å; W207-F233 HydrophobicContact CD2-CE1 4.48Å; W207-F233 AromaticContact CD2-CE2 3.87Å; W207-F233 HydrophobicContact CD2-CE2 3.87Å; W207-F233 AromaticContact CD2-CG 3.54Å; W207-F233 HydrophobicContact CD2-CG 3.54Å; W207-F233 HydrophobicContact CD2-CZ 4.39Å; W207-F233 AromaticContact CE2-CG 3.79Å; W207-F233 AromaticContact CE3-CD1 3.82Å; W207-F233 HydrophobicContact CE3-CD1 3.82Å; W207-F233 AromaticContact CE3-CD2 3.68Å; W207-F233 HydrophobicContact CE3-CD2 3.68Å; W207-F233 AromaticContact CE3-CE1 3.85Å; W207-F233 HydrophobicContact CE3-CE1 3.85Å; W207-F233 AromaticContact CE3-CE2 3.71Å; W207-F233 HydrophobicContact CE3-CE2 3.71Å; W207-F233 AromaticContact CE3-CG 3.75Å; W207-F233 HydrophobicContact CE3-CG 3.75Å; W207-F233 AromaticContact CE3-CZ 3.8Å; W207-F233 HydrophobicContact CE3-CZ 3.8Å; W207-F233 HydrophobicContact CG-CB 4.26Å; W207-F233 AromaticContact CG-CD2 3.4Å; W207-F233 HydrophobicContact CG-CD2 3.4Å; W207-F233 VanDerWaalsContact CG-CD2 3.4Å; W207-F233 AromaticContact CG-CE2 3.94Å; W207-F233 HydrophobicContact CG-CE2 3.94Å; W207-F233 AromaticContact CG-CG 3.96Å; W207-F233 HydrophobicContact CG-CG 3.96Å; W207-F233 HydrophobicContact CH2-CD1 4.18Å; W207-F233 HydrophobicContact CH2-CG 4.43Å; W207-F233 HydrophobicContact CZ2-CB 4.09Å; W207-F233 HydrophobicContact CZ2-CD1 4.4Å; W207-F233 HydrophobicContact CZ2-CG 4.24Å; W207-F233 AromaticContact CZ3-CD1 3.87Å; W207-F233 HydrophobicContact CZ3-CD1 3.87Å; W207-F233 AromaticContact CZ3-CE1 3.95Å; W207-F233 HydrophobicContact CZ3-CE1 3.95Å; W207-F233 HydrophobicContact CZ3-CG 4.19Å; W207-F233 HydrophobicContact CZ3-CZ 4.33Å; A231-F233 HydrophobicContact CB-CE2 3.83Å; A231-F233 VanDerWaalsContact O-CD2 3.32Å; A231-F233 WeakPolarHBondContact O-CD2 3.26Å; F233-R235 PolarHBondContact O-N 3.01Å; F233-Q344 CarbonylContact C-O 3.51Å; F233-Q344 VanDerWaalsContact CA-O 3.32Å; F233-Q344 WeakPolarHBondContact CA-O 3.32Å; F233-Q344 WeakPolarHBondContact CD1-O 3.22Å; F233-R345 HydrophobicContact CD1-CB 4.37Å; F233-R345 HydrophobicContact CE1-CB 4.14Å
234	Y	96.2	Very high	95.7	Very high	9 Å²	9	18.5 Å²	18.5	4%	0.035	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131	166.5	-70.8	-83.6	0	0	0	109	Y242 I282 Q344 Y346 R350	Y234-Y242 AromaticContact CD1-CE2 3.94Å; Y234-Y242 HydrophobicContact CD1-CE2 3.94Å; Y234-Y242 HydrophobicContact CE1-CE2 4.19Å; Y234-I282 HydrophobicContact CD1-CD1 3.8Å; Y234-I282 HydrophobicContact CD1-CG1 4.31Å; Y234-I282 HydrophobicContact CE1-CD1 3.33Å; Y234-I282 HydrophobicContact CE1-CG1 3.72Å; Y234-I282 HydrophobicContact CE2-CG1 4.37Å; Y234-Q344 HydrophobicContact CD2-CB 3.85Å; Y234-Q344 WeakPolarHBondContact CD2-O 3.45Å; Y234-Q344 PolarHBondContact N-O 3.38Å; Y234-Y346 AromaticContact CD1-CD2 3.94Å; Y234-Y346 HydrophobicContact CD1-CD2 3.94Å; Y234-Y346 HydrophobicContact CD1-CE2 4.5Å; Y234-Y346 HydrophobicContact CD2-CD2 4.26Å; Y234-Y346 AromaticContact CE1-CD2 3.46Å; Y234-Y346 HydrophobicContact CE1-CD2 3.46Å; Y234-Y346 VanDerWaalsContact CE1-CD2 3.46Å; Y234-Y346 AromaticContact CE1-CE2 3.74Å; Y234-Y346 HydrophobicContact CE1-CE2 3.74Å; Y234-Y346 AromaticContact CE2-CD2 3.81Å; Y234-Y346 HydrophobicContact CE2-CD2 3.81Å; Y234-Y346 HydrophobicContact CG-CD2 4.33Å; Y234-Y346 AromaticContact CZ-CD2 3.4Å; Y234-Y346 AromaticContact CZ-CE2 3.83Å; Y234-R350 PolarHBondContact OH-NH1 2.86Å
235	R	95.6	Very high	95.6	Very high	90 Å²	90	20.2 Å²	20.2	34%	0.34	11%	0.112	S	C	.	.			trans	-67.9	134.1	174.8	-177.1	174.6	-175.8	-169.9	3.9	109.7	G203 E205 F233 Q237	G203-R235 PolarHBondContact O-N 3.13Å; E205-R235 HydrophobicContact CG-CB 4.12Å; F233-R235 PolarHBondContact O-N 3.01Å; R235-Q237 PolarHBondContact O-N 2.85Å
236	S	94	Very high	95.5	Very high	54 Å²	54	20.9 Å²	20.9	38%	0.378	12%	0.116	S	C	.	.			trans	-70.7	109.9	170.5	-171.5	0	0	0	0	110	Q342	S236-Q342 VanDerWaalsContact OG-CG 3.26Å; S236-Q342 WeakPolarHBondContact OG-CG 3.42Å
237	Q	94.8	Very high	95.3	Very high	22 Å²	22	22.4 Å²	22.4	10%	0.103	12%	0.124	C	C	.	.			trans	-162.7	169.2	-177	61.7	-171.8	-4.6	0	0	110.4	R235 N241 V340	R235-Q237 PolarHBondContact O-N 2.85Å; Q237-N241 HydrophobicContact CB-CB 4.23Å; Q237-N241 HydrophobicContact CG-CB 4.24Å; Q237-V340 PolarHBondContact O-N 2.77Å
238	S	96.4	Very high	95.1	Very high	29 Å²	29	23.4 Å²	23.4	20%	0.203	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-59.7	147.1	170.9	67	0	0	0	0	111.5	L240 N241 Y242 N339	S238-L240 PolarHBondContact O-N 3.04Å; S238-N241 PolarHBondContact O-N 2.96Å; S238-N241 VanDerWaalsContact O-N 3.08Å; S238-N241 WeakPolarHBondContact OG-CB 3.49Å; S238-N241 PolarHBondContact OG-N 2.89Å; S238-N241 PolarHBondContact OG-ND2 2.85Å; S238-N241 VanDerWaalsContact OG-ND2 3.09Å; S238-Y242 PolarHBondContact O-N 3.01Å; S238-N339 VanDerWaalsContact CA-OD1 3.24Å; S238-N339 WeakPolarHBondContact CA-OD1 3.41Å
239	V	96.1	Very high	94.7	Very high	4 Å²	4	24 Å²	24	2%	0.024	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-33.2	175.9	171.6	0	0	0	0	110.5	Y242 I243 L279 V284 V335 C338 V340	V239-Y242 WeakPolarHBondContact O-CB 3.17Å; V239-Y242 PolarHBondContact O-N 3.49Å; V239-I243 HydrophobicContact CG1-CD1 3.91Å; V239-I243 HydrophobicContact CG1-CG1 4.26Å; V239-I243 VanDerWaalsContact O-CG1 3.27Å; V239-I243 WeakPolarHBondContact O-CG1 3.36Å; V239-I243 PolarHBondContact O-N 2.79Å; V239-L279 HydrophobicContact CG1-CD2 4.1Å; V239-V284 HydrophobicContact CG2-CG1 3.73Å; V239-V335 HydrophobicContact CG1-CB 4.02Å; V239-V335 HydrophobicContact CG1-CG1 4.02Å; V239-C338 HydrophobicContact CB-CB 4.07Å; V239-C338 HydrophobicContact CG2-CB 3.51Å; V239-C338 WeakPolarHBondContact CG2-O 3.38Å; V239-C338 PolarHBondContact N-O 3.06Å; V239-V340 HydrophobicContact CG2-CG2 4.27Å
240	L	94.8	Very high	94	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-57.1	-49.6	170.7	-71.1	171.4	0	0	0	112.9	S238 Y242 I243 C244 V258 I261 Q262 V335 E336	S238-L240 PolarHBondContact O-N 3.04Å; L240-Y242 VanDerWaalsContact C-N 3.28Å; L240-Y242 PolarHBondContact O-N 3.26Å; L240-I243 WeakPolarHBondContact O-CB 3.3Å; L240-I243 PolarHBondContact O-N 2.76Å; L240-C244 PolarHBondContact O-N 3.31Å; L240-C244 PolarHBondContact O-SG 2.72Å; L240-C244 VanDerWaalsContact O-SG 3.4Å; L240-V258 HydrophobicContact CB-CG1 4.13Å; L240-V258 HydrophobicContact CB-CG2 4.41Å; L240-V258 HydrophobicContact CD1-CG1 3.99Å; L240-I261 HydrophobicContact CD2-CG2 4.01Å; L240-Q262 HydrophobicContact CD1-CG 4.15Å; L240-V335 HydrophobicContact CD2-CG2 3.68Å; L240-V335 HydrophobicContact CG-CG2 4.32Å; L240-E336 HydrophobicContact CD1-CB 4.5Å; L240-E336 HydrophobicContact CD1-CG 4.2Å
241	N	95.5	Very high	93.5	Very high	72 Å²	72	33.4 Å²	33.4	39%	0.385	17%	0.174	S	C	.	.	H	α-helix	trans	-63.2	-35.4	176.2	-83.3	-41.5	0	0	0	112.3	Q237 S238 S245 V258	Q237-N241 HydrophobicContact CB-CB 4.23Å; Q237-N241 HydrophobicContact CG-CB 4.24Å; S238-N241 PolarHBondContact O-N 2.96Å; S238-N241 VanDerWaalsContact O-N 3.08Å; S238-N241 WeakPolarHBondContact OG-CB 3.49Å; S238-N241 PolarHBondContact OG-N 2.89Å; S238-N241 PolarHBondContact OG-ND2 2.85Å; S238-N241 VanDerWaalsContact OG-ND2 3.09Å; N241-S245 WeakPolarHBondContact O-CB 3.47Å; N241-S245 PolarHBondContact O-N 2.96Å; N241-S245 PolarHBondContact O-OG 2.76Å; N241-V258 WeakPolarHBondContact OD1-CG2 3.5Å
242	Y	96.2	Very high	92.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-45.6	173.4	-177.2	-95.7	0	0	0	111.7	Y234 S238 V239 L240 C244 S245 V246 A278 L279 I282 V340	Y234-Y242 AromaticContact CD1-CE2 3.94Å; Y234-Y242 HydrophobicContact CD1-CE2 3.94Å; Y234-Y242 HydrophobicContact CE1-CE2 4.19Å; S238-Y242 PolarHBondContact O-N 3.01Å; V239-Y242 WeakPolarHBondContact O-CB 3.17Å; V239-Y242 PolarHBondContact O-N 3.49Å; L240-Y242 VanDerWaalsContact C-N 3.28Å; L240-Y242 PolarHBondContact O-N 3.26Å; Y242-C244 PolarHBondContact O-N 3.45Å; Y242-S245 WeakPolarHBondContact O-CB 3.25Å; Y242-S245 PolarHBondContact O-N 3.22Å; Y242-S245 VanDerWaalsContact O-N 3.11Å; Y242-V246 HydrophobicContact CD1-CG2 4.11Å; Y242-V246 HydrophobicContact CE1-CG2 3.62Å; Y242-V246 HydrophobicContact CE2-CG2 4.2Å; Y242-V246 WeakPolarHBondContact O-CG2 3.43Å; Y242-V246 PolarHBondContact O-N 3.37Å; Y242-A278 HydrophobicContact CE1-CB 4.28Å; Y242-A278 PolarHBondContact OH-O 3.42Å; Y242-L279 HydrophobicContact CD1-CD2 3.49Å; Y242-L279 VanDerWaalsContact CD1-CD2 3.49Å; Y242-L279 HydrophobicContact CD1-CG 4.31Å; Y242-L279 HydrophobicContact CE1-CD2 3.63Å; Y242-L279 HydrophobicContact CE1-CG 4.12Å; Y242-I282 HydrophobicContact CE1-CD1 3.77Å; Y242-I282 HydrophobicContact CE2-CD1 4.26Å; Y242-V340 HydrophobicContact CD2-CG2 4.48Å; Y242-V340 HydrophobicContact CG-CG2 4.27Å
243	I	94.7	Very high	92.5	Very high	5 Å²	5	43 Å²	43	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-51	175.2	-72.3	167.7	0	0	0	110.3	V239 L240 S245 V246 L247 I261 L275 L279 V335	V239-I243 HydrophobicContact CG1-CD1 3.91Å; V239-I243 HydrophobicContact CG1-CG1 4.26Å; V239-I243 VanDerWaalsContact O-CG1 3.27Å; V239-I243 WeakPolarHBondContact O-CG1 3.36Å; V239-I243 PolarHBondContact O-N 2.79Å; L240-I243 WeakPolarHBondContact O-CB 3.3Å; L240-I243 PolarHBondContact O-N 2.76Å; I243-S245 VanDerWaalsContact C-N 3.27Å; I243-S245 PolarHBondContact O-N 2.83Å; I243-V246 PolarHBondContact O-N 2.94Å; I243-L247 HydrophobicContact CG2-CD1 3.85Å; I243-L247 HydrophobicContact CG2-CG 4.32Å; I243-L247 WeakPolarHBondContact O-CG 3.45Å; I243-L247 PolarHBondContact O-N 3.22Å; I243-I261 HydrophobicContact CB-CD1 4.44Å; I243-I261 HydrophobicContact CG2-CD1 3.55Å; I243-L275 HydrophobicContact CB-CD2 4.21Å; I243-L275 HydrophobicContact CG1-CD1 4.32Å; I243-L275 HydrophobicContact CG1-CD2 4.09Å; I243-L275 HydrophobicContact CG2-CD1 3.72Å; I243-L275 HydrophobicContact CG2-CD2 3.93Å; I243-L275 HydrophobicContact CG2-CG 4.48Å; I243-L279 HydrophobicContact CG1-CD1 4.35Å; I243-V335 HydrophobicContact CD1-CB 4.25Å; I243-V335 HydrophobicContact CD1-CG1 4.08Å; I243-V335 HydrophobicContact CD1-CG2 4.41Å
244	C	94.7	Very high	92.1	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-55.3	-44.7	174.8	-66.9	0	0	0	0	111.2	L240 Y242 V246 N248 S257 I261	L240-C244 PolarHBondContact O-N 3.31Å; L240-C244 PolarHBondContact O-SG 2.72Å; L240-C244 VanDerWaalsContact O-SG 3.4Å; Y242-C244 PolarHBondContact O-N 3.45Å; C244-V246 VanDerWaalsContact C-N 3.33Å; C244-V246 PolarHBondContact O-N 2.61Å; C244-N248 WeakPolarHBondContact O-CB 3.35Å; C244-N248 PolarHBondContact O-N 3.47Å; C244-N248 PolarHBondContact O-ND2 2.83Å; C244-S257 VanDerWaalsContact SG-C 3.55Å; C244-I261 WeakPolarHBondContact SG-CD1 3.41Å
245	S	94.2	Very high	91.7	Very high	36 Å²	36	52.8 Å²	52.8	25%	0.252	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-38.5	-179.7	-61.7	0	0	0	0	112.9	G203 N241 Y242 I243 G249	G203-S245 VanDerWaalsContact N-CB 3.32Å; N241-S245 WeakPolarHBondContact O-CB 3.47Å; N241-S245 PolarHBondContact O-N 2.96Å; N241-S245 PolarHBondContact O-OG 2.76Å; Y242-S245 WeakPolarHBondContact O-CB 3.25Å; Y242-S245 PolarHBondContact O-N 3.22Å; Y242-S245 VanDerWaalsContact O-N 3.11Å; I243-S245 VanDerWaalsContact C-N 3.27Å; I243-S245 PolarHBondContact O-N 2.83Å; S245-G249 PolarHBondContact O-N 2.83Å; S245-G249 VanDerWaalsContact O-N 3.16Å
246	V	93.8	Very high	91.4	Very high	18 Å²	18	49.4 Å²	49.4	11%	0.109	27%	0.274	C	S	.	.	H	α-helix	trans	-73.4	-48.1	178.7	173	0	0	0	0	111.2	Y242 I243 C244 G249 I274 L275 A278	Y242-V246 HydrophobicContact CD1-CG2 4.11Å; Y242-V246 HydrophobicContact CE1-CG2 3.62Å; Y242-V246 HydrophobicContact CE2-CG2 4.2Å; Y242-V246 WeakPolarHBondContact O-CG2 3.43Å; Y242-V246 PolarHBondContact O-N 3.37Å; I243-V246 PolarHBondContact O-N 2.94Å; C244-V246 VanDerWaalsContact C-N 3.33Å; C244-V246 PolarHBondContact O-N 2.61Å; V246-G249 PolarHBondContact O-N 3.32Å; V246-I274 HydrophobicContact CG1-CG2 3.99Å; V246-L275 HydrophobicContact CB-CD2 4.06Å; V246-L275 HydrophobicContact CG1-CD2 3.96Å; V246-A278 HydrophobicContact CG1-CB 3.83Å; V246-A278 HydrophobicContact CG2-CB 4Å
247	L	92.9	Very high	91.3	Very high	31 Å²	31	49 Å²	49	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-68.5	-36.5	-177.9	-67.3	-179.6	0	0	0	112.8	I243 Y256 I261 L267 E271 L275	I243-L247 HydrophobicContact CG2-CD1 3.85Å; I243-L247 HydrophobicContact CG2-CG 4.32Å; I243-L247 WeakPolarHBondContact O-CG 3.45Å; I243-L247 PolarHBondContact O-N 3.22Å; L247-Y256 HydrophobicContact CB-CD2 3.77Å; L247-Y256 HydrophobicContact CB-CE2 4.15Å; L247-Y256 HydrophobicContact CD1-CD2 4.06Å; L247-Y256 HydrophobicContact CD1-CE2 4.15Å; L247-Y256 HydrophobicContact CD1-CG 4.48Å; L247-I261 HydrophobicContact CD1-CD1 4.4Å; L247-L267 HydrophobicContact CD1-CD1 4.25Å; L247-L267 HydrophobicContact CD1-CD2 3.62Å; L247-E271 HydrophobicContact CD2-CB 3.96Å; L247-E271 HydrophobicContact CD2-CG 4.15Å; L247-L275 HydrophobicContact CD1-CD1 4.22Å; L247-L275 HydrophobicContact CD2-CD1 4.23Å; L247-L275 HydrophobicContact CD2-CD2 4.04Å; L247-L275 HydrophobicContact CD2-CG 3.89Å; L247-L275 HydrophobicContact CG-CD1 4.34Å; L247-L275 HydrophobicContact CG-CD2 4Å; L247-L275 HydrophobicContact CG-CG 4.25Å
248	N	92.3	Very high	91.1	Very high	22 Å²	22	49.6 Å²	49.6	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-73.9	-32.7	175.3	-69.5	-37.8	0	0	0	112.1	C244 N250 R251 P254 R255 Y256	C244-N248 WeakPolarHBondContact O-CB 3.35Å; C244-N248 PolarHBondContact O-N 3.47Å; C244-N248 PolarHBondContact O-ND2 2.83Å; N248-N250 PolarHBondContact O-N 2.94Å; N248-N250 VanDerWaalsContact O-N 3.15Å; N248-R251 WeakPolarHBondContact O-CB 3.37Å; N248-R251 PolarHBondContact O-N 2.75Å; N248-P254 HydrophobicContact CB-CB 4.24Å; N248-P254 WeakPolarHBondContact ND2-CB 3.48Å; N248-R255 WeakPolarHBondContact OD1-CA 3.42Å; N248-R255 PolarHBondContact OD1-N 3.25Å; N248-Y256 PolarHBondContact ND2-O 2.9Å; N248-Y256 PolarHBondContact OD1-N 3.36Å
249	G	86.1	Confident	90.8	Very high	14 Å²	14	53.6 Å²	53.6	14%	0.144	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	-115.5	-176.5	0	0	0	0	0	113.5	F202 S245 V246	F202-G249 VanDerWaalsContact CZ-CA 3.49Å; S245-G249 PolarHBondContact O-N 2.83Å; S245-G249 VanDerWaalsContact O-N 3.16Å; V246-G249 PolarHBondContact O-N 3.32Å
250	N	81.4	Confident	90.3	Very high	108 Å²	108	57.5 Å²	57.5	58%	0.578	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	7.6	176.7	68.8	-27	0	0	0	113.7	N248	N248-N250 PolarHBondContact O-N 2.94Å; N248-N250 VanDerWaalsContact O-N 3.15Å
251	R	83.9	Confident	89.8	Confident	152 Å²	152	58.3 Å²	58.3	57%	0.574	32%	0.318	S	S	*	.			trans	-62.4	136.6	-179.7	-157	-173.2	-148.2	-147.3	4.9	110.4	N248 P253	N248-R251 WeakPolarHBondContact O-CB 3.37Å; N248-R251 PolarHBondContact O-N 2.75Å; R251-P253 CarbonylContact C-O 3.31Å; R251-P253 WeakPolarHBondContact CG-O 3.35Å
252	S	83.3	Confident	89.2	Confident	115 Å²	115	59.7 Å²	59.7	80%	0.804	32%	0.322	S	S	*	.	S	Bend	trans	-137.2	115.1	172.5	-171.2	0	0	0	0	108.5
253	P	88.1	Confident	88.3	Confident	102 Å²	102	63.4 Å²	63.4	66%	0.662	35%	0.349	S	S	*	.	S	Bend	cis	-71.5	161.9	1.2	30.6	-35.5	0	0	0	113.9	R251	R251-P253 CarbonylContact C-O 3.31Å; R251-P253 WeakPolarHBondContact CG-O 3.35Å
254	P	89.1	Confident	86.8	Confident	88 Å²	88	72.5 Å²	72.5	57%	0.571	39%	0.388	S	S	*	.			trans	-62.7	147.5	174.4	26.5	-33.7	0	0	0	111.7	N248	N248-P254 HydrophobicContact CB-CB 4.24Å; N248-P254 WeakPolarHBondContact ND2-CB 3.48Å
255	R	88.3	Confident	85.5	Confident	125 Å²	125	75 Å²	75	47%	0.472	40%	0.403	S	S	.	.	S	Bend	trans	-82.5	-36.3	175.8	-174.5	175.2	176.9	-153.1	-3.8	112.5	N248 Q260 E271	N248-R255 WeakPolarHBondContact OD1-CA 3.42Å; N248-R255 PolarHBondContact OD1-N 3.25Å; R255-Q260 PolarHBondContact O-OE1 3.11Å; R255-E271 IonicContact CZ-OE1 3.54Å; R255-E271 IonicContact NH1-OE1 2.66Å; R255-E271 PolarHBondContact NH1-OE1 3.42Å; R255-E271 IonicContact NH2-OE1 3.12Å
256	Y	89.3	Confident	84.6	Confident	19 Å²	19	81.3 Å²	81.3	8%	0.075	42%	0.421	C	S	.	.			trans	-119.5	127.6	-173.6	-66.2	-76.1	0	0	0	110.9	L247 N248 Q260 I261 T265 L267 E271	L247-Y256 HydrophobicContact CB-CD2 3.77Å; L247-Y256 HydrophobicContact CB-CE2 4.15Å; L247-Y256 HydrophobicContact CD1-CD2 4.06Å; L247-Y256 HydrophobicContact CD1-CE2 4.15Å; L247-Y256 HydrophobicContact CD1-CG 4.48Å; N248-Y256 PolarHBondContact ND2-O 2.9Å; N248-Y256 PolarHBondContact OD1-N 3.36Å; Y256-Q260 VanDerWaalsContact CA-OE1 3.24Å; Y256-I261 HydrophobicContact CD1-CG1 4.17Å; Y256-I261 HydrophobicContact CG-CG1 4.5Å; Y256-T265 HydrophobicContact CE1-CG2 4.42Å; Y256-L267 HydrophobicContact CE1-CD2 4.45Å; Y256-E271 PolarHBondContact OH-OE1 2.97Å
257	S	90.9	Very high	84.3	Confident	47 Å²	47	82.1 Å²	82.1	33%	0.329	43%	0.425	S	S	.	.			trans	-97.2	168.5	158.4	70.8	0	0	0	0	110.8	C244 D259 Q260 I261	C244-S257 VanDerWaalsContact SG-C 3.55Å; S257-D259 VanDerWaalsContact C-N 3.32Å; S257-Q260 PolarHBondContact O-N 2.8Å; S257-Q260 WeakPolarHBondContact OG-CG 3.32Å; S257-Q260 PolarHBondContact OG-N 3.47Å; S257-I261 PolarHBondContact O-N 3.46Å
258	V	90.5	Very high	84.1	Confident	34 Å²	34	84.1 Å²	84.1	21%	0.206	44%	0.438	C	S	.	.	H	α-helix	trans	-59.9	-45.5	174.5	174	0	0	0	0	110.5	L240 N241 Q260 I261 Q262	L240-V258 HydrophobicContact CB-CG1 4.13Å; L240-V258 HydrophobicContact CB-CG2 4.41Å; L240-V258 HydrophobicContact CD1-CG1 3.99Å; N241-V258 WeakPolarHBondContact OD1-CG2 3.5Å; V258-Q260 VanDerWaalsContact C-N 3.27Å; V258-Q260 PolarHBondContact O-N 3.03Å; V258-I261 PolarHBondContact O-N 3.43Å; V258-I261 VanDerWaalsContact O-N 3.12Å; V258-Q262 HydrophobicContact CG1-CG 4.37Å; V258-Q262 WeakPolarHBondContact O-CG 3.27Å; V258-Q262 PolarHBondContact O-N 2.8Å
259	D	89.7	Confident	83.9	Confident	113 Å²	113	89.7 Å²	89.7	60%	0.604	47%	0.468	S	S	*	.	H	α-helix	trans	-60.1	-37.2	179.3	-52.5	-47.4	0	0	0	112.2	S257 Q262 S263	S257-D259 VanDerWaalsContact C-N 3.32Å; D259-Q262 PolarHBondContact O-N 2.69Å; D259-S263 WeakPolarHBondContact O-CB 2.87Å; D259-S263 PolarHBondContact O-N 2.97Å; D259-S263 PolarHBondContact O-OG 2.9Å
260	Q	85.9	Confident	84.1	Confident	85 Å²	85	92.1 Å²	92.1	40%	0.397	49%	0.486	S	S	.	.	H	α-helix	trans	-66.6	-41.3	176.8	-76	173	-21	0	0	112.1	R255 Y256 S257 V258 Q262 S263 T265	R255-Q260 PolarHBondContact O-OE1 3.11Å; Y256-Q260 VanDerWaalsContact CA-OE1 3.24Å; S257-Q260 PolarHBondContact O-N 2.8Å; S257-Q260 WeakPolarHBondContact OG-CG 3.32Å; S257-Q260 PolarHBondContact OG-N 3.47Å; V258-Q260 VanDerWaalsContact C-N 3.27Å; V258-Q260 PolarHBondContact O-N 3.03Å; Q260-Q262 VanDerWaalsContact C-N 3.31Å; Q260-S263 PolarHBondContact O-N 2.94Å; Q260-S263 PolarHBondContact O-OG 3.3Å; Q260-T265 VanDerWaalsContact C-OG1 3.27Å; Q260-T265 PolarHBondContact O-N 2.84Å; Q260-T265 PolarHBondContact O-OG1 2.86Å
261	I	84.5	Confident	84.6	Confident	25 Å²	25	87.9 Å²	87.9	13%	0.128	46%	0.463	C	S	.	.	H	α-helix	trans	-64.2	-40	176	-65.5	-172.8	0	0	0	110.3	L240 I243 C244 L247 Y256 S257 V258 T265	L240-I261 HydrophobicContact CD2-CG2 4.01Å; I243-I261 HydrophobicContact CB-CD1 4.44Å; I243-I261 HydrophobicContact CG2-CD1 3.55Å; C244-I261 WeakPolarHBondContact SG-CD1 3.41Å; L247-I261 HydrophobicContact CD1-CD1 4.4Å; Y256-I261 HydrophobicContact CD1-CG1 4.17Å; Y256-I261 HydrophobicContact CG-CG1 4.5Å; S257-I261 PolarHBondContact O-N 3.46Å; V258-I261 PolarHBondContact O-N 3.43Å; V258-I261 VanDerWaalsContact O-N 3.12Å; I261-T265 VanDerWaalsContact CA-OG1 3.32Å; I261-T265 WeakPolarHBondContact CA-OG1 3.34Å
262	Q	83.6	Confident	84.9	Confident	101 Å²	101	81.8 Å²	81.8	47%	0.472	44%	0.442	S	S	.	.	H	α-helix	trans	-72.9	-34.5	178.2	-68.9	179.2	-48.3	0	0	113.2	L240 V258 D259 Q260 K264	L240-Q262 HydrophobicContact CD1-CG 4.15Å; V258-Q262 HydrophobicContact CG1-CG 4.37Å; V258-Q262 WeakPolarHBondContact O-CG 3.27Å; V258-Q262 PolarHBondContact O-N 2.8Å; D259-Q262 PolarHBondContact O-N 2.69Å; Q260-Q262 VanDerWaalsContact C-N 3.31Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 2.77Å; Q262-K264 VanDerWaalsContact O-N 3.12Å
263	S	76.7	Confident	85.4	Confident	83 Å²	83	82.7 Å²	82.7	58%	0.58	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	25.6	-170.5	67.9	0	0	0	0	116	D259 Q260	D259-S263 WeakPolarHBondContact O-CB 2.87Å; D259-S263 PolarHBondContact O-N 2.97Å; D259-S263 PolarHBondContact O-OG 2.9Å; Q260-S263 PolarHBondContact O-N 2.94Å; Q260-S263 PolarHBondContact O-OG 3.3Å
264	K	63.5	Low	85.6	Confident	196 Å²	196	82.2 Å²	82.2	85%	0.852	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	25.7	177	-48.9	170.6	180	179.3	0	116.9	Q262 R266	Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 2.77Å; Q262-K264 VanDerWaalsContact O-N 3.12Å; K264-R266 PolarHBondContact O-N 3.24Å
265	T	66.7	Low	85.8	Confident	60 Å²	60	78 Å²	78	37%	0.368	40%	0.395	S	S	.	.			trans	-72.3	104	162.4	40.9	0	0	0	0	110.1	Y256 Q260 I261 L267	Y256-T265 HydrophobicContact CE1-CG2 4.42Å; Q260-T265 VanDerWaalsContact C-OG1 3.27Å; Q260-T265 PolarHBondContact O-N 2.84Å; Q260-T265 PolarHBondContact O-OG1 2.86Å; I261-T265 VanDerWaalsContact CA-OG1 3.32Å; I261-T265 WeakPolarHBondContact CA-OG1 3.34Å; T265-L267 PolarHBondContact O-N 2.85Å
266	R	77.1	Confident	86	Confident	170 Å²	170	73 Å²	73	64%	0.642	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-66.4	119.1	164.6	-73.1	-171.1	174.6	-164.5	-0.3	108.6	K264 R306	K264-R266 PolarHBondContact O-N 3.24Å; R266-R306 VanDerWaalsContact NH2-NH2 3.12Å
267	L	85.7	Confident	86.1	Confident	35 Å²	35	81.2 Å²	81.2	18%	0.183	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-68.7	137.1	170.8	-62.4	-179.4	0	0	0	109.1	L247 Y256 T265 E271 L272 L275	L247-L267 HydrophobicContact CD1-CD1 4.25Å; L247-L267 HydrophobicContact CD1-CD2 3.62Å; Y256-L267 HydrophobicContact CE1-CD2 4.45Å; T265-L267 PolarHBondContact O-N 2.85Å; L267-E271 HydrophobicContact CB-CB 4.2Å; L267-E271 HydrophobicContact CD2-CB 4.47Å; L267-L272 HydrophobicContact CB-CD2 4.16Å; L267-L272 HydrophobicContact CB-CG 4.02Å; L267-L272 HydrophobicContact CD1-CD2 4.2Å; L267-L275 HydrophobicContact CD1-CD1 3.38Å
268	T	88.9	Confident	86.2	Confident	72 Å²	72	80 Å²	80	44%	0.442	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-67.7	158.6	173.5	60.3	0	0	0	0	110.6	A270 E271 L272	T268-A270 PolarHBondContact O-N 2.99Å; T268-A270 VanDerWaalsContact O-N 3.15Å; T268-E271 PolarHBondContact N-OE2 2.85Å; T268-E271 PolarHBondContact O-N 2.79Å; T268-E271 VanDerWaalsContact OG1-CG 3.29Å; T268-E271 WeakPolarHBondContact OG1-CG 3.41Å; T268-E271 PolarHBondContact OG1-N 3.26Å; T268-E271 PolarHBondContact OG1-OE2 2.97Å; T268-L272 PolarHBondContact O-N 2.59Å
269	D	89.1	Confident	86.4	Confident	140 Å²	140	78.6 Å²	78.6	75%	0.749	40%	0.397	S	S	*	.	H	α-helix	trans	-57.2	-32.6	176.4	-66.2	-30.4	0	0	0	112.6	K273	D269-K273 WeakPolarHBondContact O-CB 3.39Å; D269-K273 PolarHBondContact O-N 2.93Å
270	A	90.5	Very high	86.6	Confident	64 Å²	64	79.5 Å²	79.5	53%	0.529	40%	0.396	S	S	.	.	H	α-helix	trans	-65.2	-43.5	174.6	0	0	0	0	0	112.1	T268 K273 I274	T268-A270 PolarHBondContact O-N 2.99Å; T268-A270 VanDerWaalsContact O-N 3.15Å; A270-K273 PolarHBondContact O-N 2.74Å; A270-I274 WeakPolarHBondContact O-CG1 3.41Å; A270-I274 PolarHBondContact O-N 2.69Å; A270-I274 VanDerWaalsContact O-N 3.08Å
271	E	91.5	Very high	86.8	Confident	20 Å²	20	77.2 Å²	77.2	9%	0.093	40%	0.395	C	S	.	.	H	α-helix	trans	-67.7	-42.2	177	-72.6	159.5	163.6	0	0	111.1	L247 R255 Y256 L267 T268 K273 I274 L275	L247-E271 HydrophobicContact CD2-CB 3.96Å; L247-E271 HydrophobicContact CD2-CG 4.15Å; R255-E271 IonicContact CZ-OE1 3.54Å; R255-E271 IonicContact NH1-OE1 2.66Å; R255-E271 PolarHBondContact NH1-OE1 3.42Å; R255-E271 IonicContact NH2-OE1 3.12Å; Y256-E271 PolarHBondContact OH-OE1 2.97Å; L267-E271 HydrophobicContact CB-CB 4.2Å; L267-E271 HydrophobicContact CD2-CB 4.47Å; T268-E271 PolarHBondContact N-OE2 2.85Å; T268-E271 PolarHBondContact O-N 2.79Å; T268-E271 VanDerWaalsContact OG1-CG 3.29Å; T268-E271 WeakPolarHBondContact OG1-CG 3.41Å; T268-E271 PolarHBondContact OG1-N 3.26Å; T268-E271 PolarHBondContact OG1-OE2 2.97Å; E271-K273 VanDerWaalsContact C-N 3.3Å; E271-K273 PolarHBondContact O-N 2.82Å; E271-I274 PolarHBondContact O-N 2.76Å; E271-L275 WeakPolarHBondContact O-CG 3.47Å; E271-L275 PolarHBondContact O-N 3.13Å
272	L	91.1	Very high	87.3	Confident	24 Å²	24	76.1 Å²	76.1	13%	0.126	39%	0.389	C	S	.	.	H	α-helix	trans	-60.4	-38.7	173.3	-72.9	171.6	0	0	0	112	L267 T268 L275 G276 I300 P302	L267-L272 HydrophobicContact CB-CD2 4.16Å; L267-L272 HydrophobicContact CB-CG 4.02Å; L267-L272 HydrophobicContact CD1-CD2 4.2Å; T268-L272 PolarHBondContact O-N 2.59Å; L272-L275 PolarHBondContact O-N 2.99Å; L272-G276 PolarHBondContact O-N 2.92Å; L272-I300 HydrophobicContact CD2-CD1 4.46Å; L272-P302 HydrophobicContact CD1-CB 3.68Å
273	K	92.4	Very high	87.9	Confident	134 Å²	134	74.6 Å²	74.6	58%	0.583	38%	0.379	S	S	*	.	H	α-helix	trans	-66.2	-38.4	175.5	-171.6	173.8	-175.4	172.3	0	112.5	D269 A270 E271 R277	D269-K273 WeakPolarHBondContact O-CB 3.39Å; D269-K273 PolarHBondContact O-N 2.93Å; A270-K273 PolarHBondContact O-N 2.74Å; E271-K273 VanDerWaalsContact C-N 3.3Å; E271-K273 PolarHBondContact O-N 2.82Å; K273-R277 WeakPolarHBondContact O-CG 3.47Å; K273-R277 PolarHBondContact O-N 3.16Å
274	I	92.1	Very high	88.7	Confident	92 Å²	92	70.8 Å²	70.8	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-48.5	174	-68.5	165.6	0	0	0	109.9	V246 A270 E271 R277 A278	V246-I274 HydrophobicContact CG1-CG2 3.99Å; A270-I274 WeakPolarHBondContact O-CG1 3.41Å; A270-I274 PolarHBondContact O-N 2.69Å; A270-I274 VanDerWaalsContact O-N 3.08Å; E271-I274 PolarHBondContact O-N 2.76Å; I274-R277 PolarHBondContact O-N 3.47Å; I274-A278 PolarHBondContact O-N 2.82Å; I274-A278 VanDerWaalsContact O-N 3.1Å
275	L	93.1	Very high	90.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-44.1	179.6	-72.3	178.4	0	0	0	113	I243 V246 L247 L267 E271 L272 R277 A278 L279 I300	I243-L275 HydrophobicContact CB-CD2 4.21Å; I243-L275 HydrophobicContact CG1-CD1 4.32Å; I243-L275 HydrophobicContact CG1-CD2 4.09Å; I243-L275 HydrophobicContact CG2-CD1 3.72Å; I243-L275 HydrophobicContact CG2-CD2 3.93Å; I243-L275 HydrophobicContact CG2-CG 4.48Å; V246-L275 HydrophobicContact CB-CD2 4.06Å; V246-L275 HydrophobicContact CG1-CD2 3.96Å; L247-L275 HydrophobicContact CD1-CD1 4.22Å; L247-L275 HydrophobicContact CD2-CD1 4.23Å; L247-L275 HydrophobicContact CD2-CD2 4.04Å; L247-L275 HydrophobicContact CD2-CG 3.89Å; L247-L275 HydrophobicContact CG-CD1 4.34Å; L247-L275 HydrophobicContact CG-CD2 4Å; L247-L275 HydrophobicContact CG-CG 4.25Å; L267-L275 HydrophobicContact CD1-CD1 3.38Å; E271-L275 WeakPolarHBondContact O-CG 3.47Å; E271-L275 PolarHBondContact O-N 3.13Å; L272-L275 PolarHBondContact O-N 2.99Å; L275-R277 PolarHBondContact O-N 3.19Å; L275-A278 PolarHBondContact O-N 2.7Å; L275-L279 HydrophobicContact CB-CD1 4.33Å; L275-L279 WeakPolarHBondContact O-CB 3.5Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 2.8Å; L275-I300 HydrophobicContact CB-CD1 4.25Å; L275-I300 HydrophobicContact CD1-CD1 4.31Å
276	G	93.4	Very high	91.4	Very high	19 Å²	19	60.8 Å²	60.8	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-56.9	-39.4	177.9	0	0	0	0	0	111.7	L272 K280	L272-G276 PolarHBondContact O-N 2.92Å; G276-K280 WeakPolarHBondContact O-CB 3.49Å; G276-K280 PolarHBondContact O-N 3.38Å
277	R	91.2	Very high	92.1	Very high	192 Å²	192	56.2 Å²	56.2	73%	0.725	30%	0.299	S	S	*	.	H	α-helix	trans	-68.2	-39.7	173.7	-71.3	175.6	179.1	-177	-2.4	112.9	K273 I274 L275	K273-R277 WeakPolarHBondContact O-CG 3.47Å; K273-R277 PolarHBondContact O-N 3.16Å; I274-R277 PolarHBondContact O-N 3.47Å; L275-R277 PolarHBondContact O-N 3.19Å
278	A	93.1	Very high	92.1	Very high	21 Å²	21	56.2 Å²	56.2	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-71.6	-41.7	-178.5	0	0	0	0	0	112.7	Y242 V246 I274 L275 I282	Y242-A278 HydrophobicContact CE1-CB 4.28Å; Y242-A278 PolarHBondContact OH-O 3.42Å; V246-A278 HydrophobicContact CG1-CB 3.83Å; V246-A278 HydrophobicContact CG2-CB 4Å; I274-A278 PolarHBondContact O-N 2.82Å; I274-A278 VanDerWaalsContact O-N 3.1Å; L275-A278 PolarHBondContact O-N 2.7Å; A278-I282 WeakPolarHBondContact O-CD1 3.28Å
279	L	94.6	Very high	92	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-80.4	-31	-175.2	-73.2	166.4	0	0	0	113.7	V239 Y242 I243 L275 G281 I282 I297 I300	V239-L279 HydrophobicContact CG1-CD2 4.1Å; Y242-L279 HydrophobicContact CD1-CD2 3.49Å; Y242-L279 VanDerWaalsContact CD1-CD2 3.49Å; Y242-L279 HydrophobicContact CD1-CG 4.31Å; Y242-L279 HydrophobicContact CE1-CD2 3.63Å; Y242-L279 HydrophobicContact CE1-CG 4.12Å; I243-L279 HydrophobicContact CG1-CD1 4.35Å; L275-L279 HydrophobicContact CB-CD1 4.33Å; L275-L279 WeakPolarHBondContact O-CB 3.5Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 2.8Å; L279-G281 PolarHBondContact O-N 3.18Å; L279-I282 HydrophobicContact CD2-CD1 4.48Å; L279-I282 WeakPolarHBondContact O-CB 2.98Å; L279-I282 WeakPolarHBondContact O-CG1 3.47Å; L279-I282 PolarHBondContact O-N 2.67Å; L279-I297 HydrophobicContact CB-CD1 4.13Å; L279-I297 HydrophobicContact CB-CG2 4.22Å; L279-I297 HydrophobicContact CD2-CD1 3.89Å; L279-I300 HydrophobicContact CD1-CD1 3.74Å
280	K	93.3	Very high	91.6	Very high	133 Å²	133	55.2 Å²	55.2	58%	0.578	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	125.3	-174.6	-174.3	175.6	-173.3	177.3	0	111.8	G276	G276-K280 WeakPolarHBondContact O-CB 3.49Å; G276-K280 PolarHBondContact O-N 3.38Å
281	G	91.8	Very high	91.2	Very high	37 Å²	37	52.9 Å²	52.9	38%	0.381	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-7.6	179.1	0	0	0	0	0	115.3	L279 I297	L279-G281 PolarHBondContact O-N 3.18Å; G281-I297 PolarHBondContact N-O 3.25Å
282	I	95.1	Very high	90.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.303	C	S	.	.			trans	-68.4	140.7	171.8	-60.3	-179.3	0	0	0	109.1	Y234 Y242 A278 L279 V284 I297 V340	Y234-I282 HydrophobicContact CD1-CD1 3.8Å; Y234-I282 HydrophobicContact CD1-CG1 4.31Å; Y234-I282 HydrophobicContact CE1-CD1 3.33Å; Y234-I282 HydrophobicContact CE1-CG1 3.72Å; Y234-I282 HydrophobicContact CE2-CG1 4.37Å; Y242-I282 HydrophobicContact CE1-CD1 3.77Å; Y242-I282 HydrophobicContact CE2-CD1 4.26Å; A278-I282 WeakPolarHBondContact O-CD1 3.28Å; L279-I282 HydrophobicContact CD2-CD1 4.48Å; L279-I282 WeakPolarHBondContact O-CB 2.98Å; L279-I282 WeakPolarHBondContact O-CG1 3.47Å; L279-I282 PolarHBondContact O-N 2.67Å; I282-V284 HydrophobicContact CG2-CG1 4.49Å; I282-I297 HydrophobicContact CB-CD1 4.32Å; I282-I297 WeakPolarHBondContact O-CG1 3.19Å; I282-I297 PolarHBondContact O-N 3.1Å; I282-V340 HydrophobicContact CG2-CG1 3.91Å; I282-V340 HydrophobicContact CG2-CG2 4.49Å
283	R	94.4	Very high	90.3	Very high	69 Å²	69	57.2 Å²	57.2	26%	0.26	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.4	170.2	-58.7	179.8	-70	-169.2	4.8	110.8	Q294 Y295 A341 Q344	R283-Q294 HydrophobicContact CB-CB 4.23Å; R283-Y295 CarbonylContact C-O 3.56Å; R283-Y295 VanDerWaalsContact CA-O 3.28Å; R283-Y295 WeakPolarHBondContact CA-O 3.44Å; R283-A341 HydrophobicContact CB-CB 4.31Å; R283-A341 WeakPolarHBondContact O-CB 3.2Å; R283-A341 PolarHBondContact O-N 2.88Å; R283-Q344 PolarHBondContact O-NE2 3.01Å
284	V	95.2	Very high	90.2	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.7	178	-63.6	0	0	0	0	111.3	V239 I282 Q294 Y295 I297 C338 N339	V239-V284 HydrophobicContact CG2-CG1 3.73Å; I282-V284 HydrophobicContact CG2-CG1 4.49Å; V284-Q294 CarbonylContact O-C 3.6Å; V284-Q294 VanDerWaalsContact O-CA 3.29Å; V284-Q294 WeakPolarHBondContact O-CA 3.44Å; V284-Y295 WeakPolarHBondContact CG2-O 3.03Å; V284-Y295 PolarHBondContact N-O 2.95Å; V284-Y295 PolarHBondContact O-N 2.99Å; V284-I297 HydrophobicContact CG1-CD1 3.72Å; V284-I297 HydrophobicContact CG1-CG1 4.07Å; V284-I297 HydrophobicContact CG2-CG1 4.24Å; V284-C338 HydrophobicContact CB-CB 4.34Å; V284-C338 HydrophobicContact CG2-CB 4.39Å; V284-N339 CarbonylContact C-O 3.57Å; V284-N339 WeakPolarHBondContact CA-O 3.42Å; V284-N339 WeakPolarHBondContact CB-O 3.48Å
285	T	93.8	Very high	90.1	Very high	37 Å²	37	51.3 Å²	51.3	23%	0.227	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	163.9	164.3	55.9	0	0	0	0	109.6	Q294 C338 N339 A341	T285-Q294 HydrophobicContact CG2-CG 3.96Å; T285-C338 WeakPolarHBondContact O-CA 3.39Å; T285-N339 PolarHBondContact N-O 2.81Å; T285-N339 PolarHBondContact O-N 2.81Å; T285-A341 HydrophobicContact CG2-CB 4.32Å
286	V	91.7	Very high	90	Very high	9 Å²	9	60.1 Å²	60.1	6%	0.055	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.1	-180	-61.9	0	0	0	0	111.5	R289 C291 Y295 L333 V337	V286-R289 HydrophobicContact CG2-CG 3.96Å; V286-C291 HydrophobicContact CG2-CB 3.63Å; V286-Y295 HydrophobicContact CG1-CD2 3.94Å; V286-Y295 HydrophobicContact CG1-CE2 3.76Å; V286-Y295 HydrophobicContact CG2-CE2 4.17Å; V286-L333 HydrophobicContact CG1-CD1 3.72Å; V286-L333 HydrophobicContact CG1-CD2 4.32Å; V286-V337 CarbonylContact C-O 3.48Å; V286-V337 VanDerWaalsContact CA-O 3.24Å; V286-V337 WeakPolarHBondContact CA-O 3.32Å
287	T	91.5	Very high	90.1	Very high	74 Å²	74	60.5 Å²	60.5	45%	0.454	30%	0.298	S	S	.	.	S	Bend	trans	-108.8	-17.6	-177.7	57	0	0	0	0	114	R289 V337 N339	T287-R289 PolarHBondContact O-N 3.08Å; T287-V337 PolarHBondContact N-O 2.82Å; T287-V337 WeakPolarHBondContact OG1-CA 3.33Å; T287-V337 PolarHBondContact OG1-O 2.98Å; T287-N339 WeakPolarHBondContact CG2-ND2 3.49Å
288	H	86.8	Confident	90.1	Very high	34 Å²	34	57.9 Å²	57.9	16%	0.157	30%	0.297	C	S	.	.	S	Bend	trans	-74.3	-6.7	-175.9	64.1	-86.5	0	0	0	114.4	F323 K327 V337	H288-F323 AromaticContact CD2-CE1 3.87Å; H288-F323 AromaticContact CE1-CE1 3.71Å; H288-F323 AromaticContact CG-CE1 3.95Å; H288-F323 AromaticContact ND1-CE1 3.85Å; H288-F323 AromaticContact NE2-CE1 3.75Å; H288-K327 PolarHBondContact CD2-O 3.38Å; H288-V337 HydrophobicContact CB-CB 4.03Å; H288-V337 HydrophobicContact CB-CG1 3.89Å; H288-V337 WeakPolarHBondContact ND1-CG2 3.18Å
289	R	85.7	Confident	90	Very high	51 Å²	51	59 Å²	59	19%	0.192	31%	0.311	C	S	.	.	S	Bend	trans	-155.4	154.7	-179.2	63.6	178.8	-177.4	-179.8	-13.7	110.7	V286 T287 C291 Y295 S328 R329	V286-R289 HydrophobicContact CG2-CG 3.96Å; T287-R289 PolarHBondContact O-N 3.08Å; R289-C291 HydrophobicContact CG-CB 3.83Å; R289-C291 PolarHBondContact O-N 3.12Å; R289-Y295 PolarHBondContact NH2-OH 3.05Å; R289-S328 VanDerWaalsContact CZ-O 3.24Å; R289-S328 PolarHBondContact NH1-O 2.82Å; R289-R329 VanDerWaalsContact NH1-CG 3.25Å
290	P	81.8	Confident	89.8	Confident	140 Å²	140	61.5 Å²	61.5	91%	0.909	32%	0.323	S	S	*	.	S	Bend	trans	-67	99.1	173.4	27.6	-33.5	0	0	0	109.8
291	C	81	Confident	89.6	Confident	15 Å²	15	57 Å²	57	10%	0.101	31%	0.311	C	S	.	.			trans	-152.6	116.7	-173.2	169.7	0	0	0	0	110	N123 V286 R289 Y295	N123-C291 PolarHBondContact OD1-SG 2.78Å; V286-C291 HydrophobicContact CG2-CB 3.63Å; R289-C291 HydrophobicContact CG-CB 3.83Å; R289-C291 PolarHBondContact O-N 3.12Å; C291-Y295 PolarHBondContact SG-OH 3.36Å
292	N	78.2	Confident	89.2	Confident	134 Å²	134	60 Å²	60	72%	0.717	32%	0.324	S	S	*	.			trans	-93	-3.3	178.3	-68.7	-21.8	0	0	0	113.2
293	A	85.2	Confident	88.6	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.017	34%	0.336	C	S	.	.			trans	-68.2	145.1	177.8	0	0	0	0	0	111.5	M120 N123 Y295	M120-A293 CarbonylContact O-C 3.54Å; M120-A293 WeakPolarHBondContact O-CA 3.47Å; N123-A293 WeakPolarHBondContact OD1-CB 3.24Å; A293-Y295 HydrophobicContact CB-CE2 4.34Å; A293-Y295 WeakPolarHBondContact O-CE2 3.42Å
294	Q	90.5	Very high	88.2	Confident	38 Å²	38	60.6 Å²	60.6	18%	0.178	34%	0.337	C	S	.	.			trans	-102.9	130.1	176.9	-62.1	-173.8	11.2	0	0	109.9	M120 R283 V284 T285 A341	M120-Q294 PolarHBondContact O-N 2.5Å; R283-Q294 HydrophobicContact CB-CB 4.23Å; V284-Q294 CarbonylContact O-C 3.6Å; V284-Q294 VanDerWaalsContact O-CA 3.29Å; V284-Q294 WeakPolarHBondContact O-CA 3.44Å; T285-Q294 HydrophobicContact CG2-CG 3.96Å; Q294-A341 HydrophobicContact CG-CB 4.14Å
295	Y	90.2	Very high	87.7	Confident	64 Å²	64	63.5 Å²	63.5	25%	0.251	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.4	179.2	-55.1	-91.5	0	0	0	109.1	N123 R283 V284 V286 R289 C291 A293 L333	N123-Y295 PolarHBondContact ND2-OH 3.16Å; R283-Y295 CarbonylContact C-O 3.56Å; R283-Y295 VanDerWaalsContact CA-O 3.28Å; R283-Y295 WeakPolarHBondContact CA-O 3.44Å; V284-Y295 WeakPolarHBondContact CG2-O 3.03Å; V284-Y295 PolarHBondContact N-O 2.95Å; V284-Y295 PolarHBondContact O-N 2.99Å; V286-Y295 HydrophobicContact CG1-CD2 3.94Å; V286-Y295 HydrophobicContact CG1-CE2 3.76Å; V286-Y295 HydrophobicContact CG2-CE2 4.17Å; R289-Y295 PolarHBondContact NH2-OH 3.05Å; C291-Y295 PolarHBondContact SG-OH 3.36Å; A293-Y295 HydrophobicContact CB-CE2 4.34Å; A293-Y295 WeakPolarHBondContact O-CE2 3.42Å; Y295-L333 HydrophobicContact CD2-CD1 4.41Å; Y295-L333 HydrophobicContact CG-CD1 4.32Å
296	R	92.1	Very high	87.3	Confident	184 Å²	184	69.2 Å²	69.2	69%	0.694	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.4	175.7	-173.2	175.5	69.5	173.3	0.9	109.7	I298	R296-I298 PolarHBondContact O-N 3.39Å
297	I	94	Very high	87.1	Confident	27 Å²	27	71.1 Å²	71.1	14%	0.138	38%	0.383	C	S	.	.			trans	-66.6	123.4	176.7	-57.6	176.6	0	0	0	109.7	L279 G281 I282 V284 G299	L279-I297 HydrophobicContact CB-CD1 4.13Å; L279-I297 HydrophobicContact CB-CG2 4.22Å; L279-I297 HydrophobicContact CD2-CD1 3.89Å; G281-I297 PolarHBondContact N-O 3.25Å; I282-I297 HydrophobicContact CB-CD1 4.32Å; I282-I297 WeakPolarHBondContact O-CG1 3.19Å; I282-I297 PolarHBondContact O-N 3.1Å; V284-I297 HydrophobicContact CG1-CD1 3.72Å; V284-I297 HydrophobicContact CG1-CG1 4.07Å; V284-I297 HydrophobicContact CG2-CG1 4.24Å; I297-G299 WeakPolarHBondContact CG2-O 3.19Å
298	I	92.1	Very high	86.9	Confident	138 Å²	138	71.5 Å²	71.5	71%	0.708	38%	0.381	S	S	*	.			trans	-98.2	-25.6	176.7	59.4	174.9	0	0	0	113	R296	R296-I298 PolarHBondContact O-N 3.39Å
299	G	91.2	Very high	86.8	Confident	45 Å²	45	71.6 Å²	71.6	46%	0.464	38%	0.381	S	S	.	.			trans	-172.5	-179.7	-178.6	0	0	0	0	0	111.7	I297	I297-G299 WeakPolarHBondContact CG2-O 3.19Å
300	I	90.4	Very high	86.9	Confident	55 Å²	55	73.1 Å²	73.1	28%	0.282	40%	0.396	S	S	.	.			trans	-128.6	133.3	175.6	-174.3	166.6	0	0	0	108.7	L272 L275 L279	L272-I300 HydrophobicContact CD2-CD1 4.46Å; L275-I300 HydrophobicContact CB-CD1 4.25Å; L275-I300 HydrophobicContact CD1-CD1 4.31Å; L279-I300 HydrophobicContact CD1-CD1 3.74Å
301	A	89	Confident	86.9	Confident	38 Å²	38	68.6 Å²	68.6	31%	0.314	36%	0.363	S	S	.	.			trans	-94.9	150	170.9	0	0	0	0	0	109.6	Q307	A301-Q307 HydrophobicContact CB-CB 4.48Å; A301-Q307 HydrophobicContact CB-CG 4.35Å
302	P	83.4	Confident	86.9	Confident	100 Å²	100	76.5 Å²	76.5	65%	0.649	41%	0.405	S	S	*	.	S	Bend	trans	-69.2	-37.7	-173.5	25.1	-33.9	0	0	0	113.9	L272	L272-P302 HydrophobicContact CD1-CB 3.68Å
303	D	83.2	Confident	87.2	Confident	49 Å²	49	74.1 Å²	74.1	26%	0.262	39%	0.392	S	S	.	.			trans	-153.5	123.8	-171.3	-171.6	-18.3	0	0	0	110.4	S305 R306 Q307	D303-S305 VanDerWaalsContact C-N 3.26Å; D303-S305 PolarHBondContact O-N 2.87Å; D303-S305 WeakPolarHBondContact OD1-CB 3.44Å; D303-S305 PolarHBondContact OD1-N 2.92Å; D303-S305 PolarHBondContact OD1-OG 2.9Å; D303-S305 PolarHBondContact OD2-OG 2.95Å; D303-S305 VanDerWaalsContact OD2-OG 3.07Å; D303-R306 HydrophobicContact CB-CB 4.28Å; D303-R306 HydrophobicContact CB-CG 4.35Å; D303-R306 PolarHBondContact O-N 2.85Å; D303-Q307 PolarHBondContact O-N 3.04Å
304	A	86.1	Confident	87.2	Confident	34 Å²	34	76.6 Å²	76.6	28%	0.281	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.1	178.3	0	0	0	0	0	112.8	R306 V319 A320	A304-R306 VanDerWaalsContact C-N 3.26Å; A304-R306 PolarHBondContact O-N 3.26Å; A304-V319 HydrophobicContact CB-CB 4.22Å; A304-V319 HydrophobicContact CB-CG1 4.16Å; A304-V319 WeakPolarHBondContact O-CB 3.48Å; A304-V319 PolarHBondContact O-N 2.73Å; A304-A320 HydrophobicContact CB-CB 4.32Å; A304-A320 PolarHBondContact O-N 3.48Å
305	S	84.1	Confident	87.1	Confident	65 Å²	65	82.4 Å²	82.4	46%	0.455	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.3	177.2	68.7	0	0	0	0	113.7	D303 S318	D303-S305 VanDerWaalsContact C-N 3.26Å; D303-S305 PolarHBondContact O-N 2.87Å; D303-S305 WeakPolarHBondContact OD1-CB 3.44Å; D303-S305 PolarHBondContact OD1-N 2.92Å; D303-S305 PolarHBondContact OD1-OG 2.9Å; D303-S305 PolarHBondContact OD2-OG 2.95Å; D303-S305 VanDerWaalsContact OD2-OG 3.07Å; S305-S318 WeakPolarHBondContact O-CB 3.24Å
306	R	84.1	Confident	87	Confident	158 Å²	158	84.4 Å²	84.4	60%	0.596	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-18	179	-65	179.9	169.5	-154	-10.4	113.4	R266 D303 A304 M308	R266-R306 VanDerWaalsContact NH2-NH2 3.12Å; D303-R306 HydrophobicContact CB-CB 4.28Å; D303-R306 HydrophobicContact CB-CG 4.35Å; D303-R306 PolarHBondContact O-N 2.85Å; A304-R306 VanDerWaalsContact C-N 3.26Å; A304-R306 PolarHBondContact O-N 3.26Å; R306-M308 PolarHBondContact O-N 3.05Å; R306-M308 VanDerWaalsContact O-N 3.1Å
307	Q	88	Confident	86.8	Confident	48 Å²	48	76.4 Å²	76.4	22%	0.224	42%	0.42	C	S	.	.			trans	-74.2	102.1	174.4	-175.5	59.7	62.3	0	0	108.1	A301 D303 S318 V319 Y332	A301-Q307 HydrophobicContact CB-CB 4.48Å; A301-Q307 HydrophobicContact CB-CG 4.35Å; D303-Q307 PolarHBondContact O-N 3.04Å; Q307-S318 CarbonylContact O-C 3.56Å; Q307-S318 WeakPolarHBondContact O-CA 3.3Å; Q307-V319 HydrophobicContact CB-CG2 3.98Å; Q307-V319 HydrophobicContact CG-CG2 3.8Å; Q307-V319 WeakPolarHBondContact O-CG2 3.33Å; Q307-V319 PolarHBondContact O-N 2.86Å; Q307-Y332 HydrophobicContact CG-CD1 3.71Å; Q307-Y332 HydrophobicContact CG-CD2 4.25Å; Q307-Y332 HydrophobicContact CG-CE1 3.81Å; Q307-Y332 HydrophobicContact CG-CE2 4.35Å; Q307-Y332 HydrophobicContact CG-CG 3.94Å
308	M	87.8	Confident	86.6	Confident	82 Å²	82	75.2 Å²	75.2	40%	0.404	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	153.1	175.3	-54.3	-58.1	-70.7	0	0	110.4	R306 E316 I317 S318	R306-M308 PolarHBondContact O-N 3.05Å; R306-M308 VanDerWaalsContact O-N 3.1Å; M308-E316 WeakPolarHBondContact CB-OE2 3.48Å; M308-E316 HydrophobicContact CE-CB 4.04Å; M308-I317 WeakPolarHBondContact CA-O 3.48Å; M308-I317 VanDerWaalsContact CE-C 3.41Å; M308-S318 VanDerWaalsContact SD-CA 3.57Å
309	F	85.8	Confident	86.4	Confident	36 Å²	36	68.8 Å²	68.8	16%	0.158	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	149.9	164.1	69.6	-81.4	0	0	0	110.6	M311 I317 V319 Y322	F309-M311 HydrophobicContact CE2-CG 4.39Å; F309-I317 HydrophobicContact CD1-CG2 4.4Å; F309-I317 HydrophobicContact CE1-CG2 3.88Å; F309-I317 HydrophobicContact CE2-CG2 4.24Å; F309-I317 HydrophobicContact CZ-CG2 3.8Å; F309-I317 PolarHBondContact N-O 2.87Å; F309-I317 PolarHBondContact O-N 2.85Å; F309-V319 HydrophobicContact CD1-CG2 3.87Å; F309-V319 HydrophobicContact CE1-CG2 4.06Å; F309-Y322 HydrophobicContact CE1-CD1 4.24Å; F309-Y322 AromaticContact CE1-CG 3.96Å; F309-Y322 HydrophobicContact CE1-CG 3.96Å; F309-Y322 HydrophobicContact CE2-CD2 4.39Å; F309-Y322 AromaticContact CZ-CD1 3.71Å; F309-Y322 HydrophobicContact CZ-CD1 3.71Å; F309-Y322 AromaticContact CZ-CD2 3.63Å; F309-Y322 HydrophobicContact CZ-CD2 3.63Å; F309-Y322 HydrophobicContact CZ-CE1 4.2Å; F309-Y322 HydrophobicContact CZ-CE2 4.12Å; F309-Y322 AromaticContact CZ-CG 3.4Å; F309-Y322 HydrophobicContact CZ-CG 3.4Å; F309-Y322 VanDerWaalsContact CZ-CG 3.4Å
310	T	86.6	Confident	86.2	Confident	83 Å²	83	68.5 Å²	68.5	51%	0.509	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.1	178.9	-31.2	0	0	0	0	110.9	E316	T310-E316 WeakPolarHBondContact CB-OE1 3.38Å; T310-E316 PolarHBondContact OG1-OE1 3.32Å
311	M	82.4	Confident	86.1	Confident	45 Å²	45	70.3 Å²	70.3	22%	0.222	38%	0.384	C	S	.	.			trans	-74.2	165.4	170.6	-67.6	-170.9	71.9	0	0	111.4	F309 D313 G314 R315 I317 Y322	F309-M311 HydrophobicContact CE2-CG 4.39Å; M311-D313 VanDerWaalsContact CB-OD1 3.27Å; M311-D313 WeakPolarHBondContact CB-OD1 3.45Å; M311-D313 PolarHBondContact O-N 2.99Å; M311-D313 VanDerWaalsContact O-N 3.09Å; M311-G314 PolarHBondContact O-N 2.9Å; M311-R315 PolarHBondContact N-O 2.95Å; M311-I317 HydrophobicContact CG-CG2 3.62Å; M311-I317 HydrophobicContact SD-CB 4.29Å; M311-I317 HydrophobicContact SD-CD1 4.3Å; M311-I317 HydrophobicContact SD-CG2 3.77Å; M311-Y322 HydrophobicContact CE-CD2 4.31Å; M311-Y322 HydrophobicContact CE-CE2 4.14Å; M311-Y322 HydrophobicContact SD-CD2 4.48Å
312	N	81	Confident	86	Confident	182 Å²	182	69.3 Å²	69.3	97%	0.973	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.4	179.3	-69.9	-7.6	0	0	0	113.9	G314	N312-G314 VanDerWaalsContact C-N 3.33Å
313	D	85.1	Confident	86.1	Confident	84 Å²	84	65.4 Å²	65.4	45%	0.449	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.6	177.4	60.2	12.8	0	0	0	113.3	M311 R315	M311-D313 VanDerWaalsContact CB-OD1 3.27Å; M311-D313 WeakPolarHBondContact CB-OD1 3.45Å; M311-D313 PolarHBondContact O-N 2.99Å; M311-D313 VanDerWaalsContact O-N 3.09Å; D313-R315 WeakPolarHBondContact OD1-CB 3.48Å; D313-R315 PolarHBondContact OD1-N 3.24Å; D313-R315 IonicContact OD1-NE 2.77Å; D313-R315 IonicContact OD2-CZ 2.73Å; D313-R315 IonicContact OD2-NE 2.77Å; D313-R315 PolarHBondContact OD2-NE 3.02Å; D313-R315 IonicContact OD2-NH2 4Å; D313-R315 PolarHBondContact OD2-NH2 3.18Å
314	G	83.9	Confident	86	Confident	53 Å²	53	66.1 Å²	66.1	55%	0.546	37%	0.365	S	S	.	.	S	Bend	trans	85.7	-3.8	180	0	0	0	0	0	115.1	M311 N312	M311-G314 PolarHBondContact O-N 2.9Å; N312-G314 VanDerWaalsContact C-N 3.33Å
315	R	87.9	Confident	85.7	Confident	161 Å²	161	71.1 Å²	71.1	61%	0.608	38%	0.382	S	S	*	.			trans	-73.9	135.3	178.1	-67.6	-174.4	-79	178.1	-6.7	111.4	M311 D313	M311-R315 PolarHBondContact N-O 2.95Å; D313-R315 WeakPolarHBondContact OD1-CB 3.48Å; D313-R315 PolarHBondContact OD1-N 3.24Å; D313-R315 IonicContact OD1-NE 2.77Å; D313-R315 IonicContact OD2-CZ 2.73Å; D313-R315 IonicContact OD2-NE 2.77Å; D313-R315 PolarHBondContact OD2-NE 3.02Å; D313-R315 IonicContact OD2-NH2 4Å; D313-R315 PolarHBondContact OD2-NH2 3.18Å
316	E	88.4	Confident	84.9	Confident	106 Å²	106	71.1 Å²	71.1	50%	0.495	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.7	168.7	-75.5	-65.2	147	0	0	109.7	M308 T310	M308-E316 WeakPolarHBondContact CB-OE2 3.48Å; M308-E316 HydrophobicContact CE-CB 4.04Å; T310-E316 WeakPolarHBondContact CB-OE1 3.38Å; T310-E316 PolarHBondContact OG1-OE1 3.32Å
317	I	89.1	Confident	84.1	Confident	16 Å²	16	70 Å²	70	8%	0.082	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.6	177.2	-166.8	166.3	0	0	0	109.8	M308 F309 M311 D321 Y322	M308-I317 WeakPolarHBondContact CA-O 3.48Å; M308-I317 VanDerWaalsContact CE-C 3.41Å; F309-I317 HydrophobicContact CD1-CG2 4.4Å; F309-I317 HydrophobicContact CE1-CG2 3.88Å; F309-I317 HydrophobicContact CE2-CG2 4.24Å; F309-I317 HydrophobicContact CZ-CG2 3.8Å; F309-I317 PolarHBondContact N-O 2.87Å; F309-I317 PolarHBondContact O-N 2.85Å; M311-I317 HydrophobicContact CG-CG2 3.62Å; M311-I317 HydrophobicContact SD-CB 4.29Å; M311-I317 HydrophobicContact SD-CD1 4.3Å; M311-I317 HydrophobicContact SD-CG2 3.77Å; I317-D321 HydrophobicContact CD1-CB 4.11Å; I317-D321 HydrophobicContact CG1-CB 3.79Å; I317-Y322 HydrophobicContact CG2-CD2 4.33Å
318	S	89.1	Confident	83	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.014	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	153.2	172.9	82.4	0	0	0	0	110.4	S305 Q307 M308 A320 D321 Y322	S305-S318 WeakPolarHBondContact O-CB 3.24Å; Q307-S318 CarbonylContact O-C 3.56Å; Q307-S318 WeakPolarHBondContact O-CA 3.3Å; M308-S318 VanDerWaalsContact SD-CA 3.57Å; S318-A320 PolarHBondContact O-N 2.88Å; S318-A320 PolarHBondContact OG-N 3.37Å; S318-D321 WeakPolarHBondContact CB-OD2 3.32Å; S318-D321 PolarHBondContact O-N 2.95Å; S318-D321 WeakPolarHBondContact OG-CB 3.34Å; S318-D321 PolarHBondContact OG-N 3.16Å; S318-D321 PolarHBondContact OG-OD2 2.95Å; S318-Y322 WeakPolarHBondContact O-CB 3.36Å; S318-Y322 PolarHBondContact O-N 2.82Å
319	V	88.4	Confident	81.9	Confident	2 Å²	2	73 Å²	73	1%	0.012	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-36.2	173.5	173.8	0	0	0	0	110.9	A304 Q307 F309 F323 Y332 P334	A304-V319 HydrophobicContact CB-CB 4.22Å; A304-V319 HydrophobicContact CB-CG1 4.16Å; A304-V319 WeakPolarHBondContact O-CB 3.48Å; A304-V319 PolarHBondContact O-N 2.73Å; Q307-V319 HydrophobicContact CB-CG2 3.98Å; Q307-V319 HydrophobicContact CG-CG2 3.8Å; Q307-V319 WeakPolarHBondContact O-CG2 3.33Å; Q307-V319 PolarHBondContact O-N 2.86Å; F309-V319 HydrophobicContact CD1-CG2 3.87Å; F309-V319 HydrophobicContact CE1-CG2 4.06Å; V319-F323 HydrophobicContact CG1-CD2 3.98Å; V319-F323 HydrophobicContact CG1-CE2 4.21Å; V319-F323 VanDerWaalsContact O-CD2 3.31Å; V319-F323 WeakPolarHBondContact O-CD2 3.29Å; V319-F323 PolarHBondContact O-N 3.36Å; V319-F323 VanDerWaalsContact O-N 3.1Å; V319-Y332 VanDerWaalsContact CG2-CB 3.45Å; V319-Y332 HydrophobicContact CG2-CD2 4.35Å; V319-Y332 HydrophobicContact CG2-CG 4.02Å; V319-P334 HydrophobicContact CG1-CG 3.96Å
320	A	87.2	Confident	81.1	Confident	39 Å²	39	72.4 Å²	72.4	32%	0.322	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-51.4	176.6	0	0	0	0	0	112	A304 S318 Y322 F323 G324	A304-A320 HydrophobicContact CB-CB 4.32Å; A304-A320 PolarHBondContact O-N 3.48Å; S318-A320 PolarHBondContact O-N 2.88Å; S318-A320 PolarHBondContact OG-N 3.37Å; A320-Y322 PolarHBondContact O-N 3.17Å; A320-F323 PolarHBondContact O-N 2.84Å; A320-G324 PolarHBondContact O-N 2.82Å
321	D	88	Confident	80.7	Confident	93 Å²	93	73.1 Å²	73.1	50%	0.497	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-41.7	-178.5	-59.3	-39.1	0	0	0	110.8	I317 S318 F323 G324 E325	I317-D321 HydrophobicContact CD1-CB 4.11Å; I317-D321 HydrophobicContact CG1-CB 3.79Å; S318-D321 WeakPolarHBondContact CB-OD2 3.32Å; S318-D321 PolarHBondContact O-N 2.95Å; S318-D321 WeakPolarHBondContact OG-CB 3.34Å; S318-D321 PolarHBondContact OG-N 3.16Å; S318-D321 PolarHBondContact OG-OD2 2.95Å; D321-F323 PolarHBondContact O-N 3.47Å; D321-G324 CarbonylContact O-C 3.54Å; D321-G324 WeakPolarHBondContact O-CA 3.32Å; D321-G324 PolarHBondContact O-N 3.27Å; D321-E325 WeakPolarHBondContact O-CG 3.42Å; D321-E325 PolarHBondContact O-N 3.24Å
322	Y	85.9	Confident	80.9	Confident	17 Å²	17	75.8 Å²	75.8	7%	0.067	42%	0.416	C	S	.	.	H	α-helix	trans	-58.2	-45.6	175.5	177.7	-102.8	0	0	0	112.6	F309 M311 I317 S318 A320 G324 E325 T326 R329	F309-Y322 HydrophobicContact CE1-CD1 4.24Å; F309-Y322 AromaticContact CE1-CG 3.96Å; F309-Y322 HydrophobicContact CE1-CG 3.96Å; F309-Y322 HydrophobicContact CE2-CD2 4.39Å; F309-Y322 AromaticContact CZ-CD1 3.71Å; F309-Y322 HydrophobicContact CZ-CD1 3.71Å; F309-Y322 AromaticContact CZ-CD2 3.63Å; F309-Y322 HydrophobicContact CZ-CD2 3.63Å; F309-Y322 HydrophobicContact CZ-CE1 4.2Å; F309-Y322 HydrophobicContact CZ-CE2 4.12Å; F309-Y322 AromaticContact CZ-CG 3.4Å; F309-Y322 HydrophobicContact CZ-CG 3.4Å; F309-Y322 VanDerWaalsContact CZ-CG 3.4Å; M311-Y322 HydrophobicContact CE-CD2 4.31Å; M311-Y322 HydrophobicContact CE-CE2 4.14Å; M311-Y322 HydrophobicContact SD-CD2 4.48Å; I317-Y322 HydrophobicContact CG2-CD2 4.33Å; S318-Y322 WeakPolarHBondContact O-CB 3.36Å; S318-Y322 PolarHBondContact O-N 2.82Å; A320-Y322 PolarHBondContact O-N 3.17Å; Y322-G324 PolarHBondContact O-N 3.34Å; Y322-E325 PolarHBondContact O-N 2.83Å; Y322-T326 VanDerWaalsContact CE1-O 3.26Å; Y322-T326 WeakPolarHBondContact CE1-O 3.36Å; Y322-T326 CarbonylContact O-C 3.54Å; Y322-T326 VanDerWaalsContact O-C 3.31Å; Y322-T326 WeakPolarHBondContact O-CA 3.41Å; Y322-T326 PolarHBondContact O-N 3.35Å; Y322-R329 PolarHBondContact OH-N 2.86Å; Y322-R329 PolarHBondContact OH-O 3.02Å; Y322-R329 VanDerWaalsContact OH-O 3.12Å
323	F	86.4	Confident	81.3	Confident	19 Å²	19	69.3 Å²	69.3	8%	0.083	38%	0.381	C	S	.	.	H	α-helix	trans	-72.7	-17.7	176.9	-87.6	-96.8	0	0	0	113.2	H288 V319 A320 D321 Y332 L333 P334 V337	H288-F323 AromaticContact CD2-CE1 3.87Å; H288-F323 AromaticContact CE1-CE1 3.71Å; H288-F323 AromaticContact CG-CE1 3.95Å; H288-F323 AromaticContact ND1-CE1 3.85Å; H288-F323 AromaticContact NE2-CE1 3.75Å; V319-F323 HydrophobicContact CG1-CD2 3.98Å; V319-F323 HydrophobicContact CG1-CE2 4.21Å; V319-F323 VanDerWaalsContact O-CD2 3.31Å; V319-F323 WeakPolarHBondContact O-CD2 3.29Å; V319-F323 PolarHBondContact O-N 3.36Å; V319-F323 VanDerWaalsContact O-N 3.1Å; A320-F323 PolarHBondContact O-N 2.84Å; D321-F323 PolarHBondContact O-N 3.47Å; F323-Y332 WeakPolarHBondContact CE2-O 3.06Å; F323-L333 HydrophobicContact CZ-CD2 3.81Å; F323-P334 HydrophobicContact CB-CG 4.15Å; F323-P334 HydrophobicContact CD1-CG 4.05Å; F323-P334 HydrophobicContact CD2-CG 3.73Å; F323-P334 HydrophobicContact CE1-CG 4.41Å; F323-P334 HydrophobicContact CE2-CG 4.12Å; F323-P334 HydrophobicContact CG-CG 3.69Å; F323-P334 HydrophobicContact CZ-CG 4.46Å; F323-V337 HydrophobicContact CE1-CG2 4.08Å
324	G	81.4	Confident	81.6	Confident	64 Å²	64	66 Å²	66	66%	0.66	37%	0.365	S	S	*	.	H	α-helix	trans	-72.9	-42.9	167.1	0	0	0	0	0	112.8	A320 D321 Y322	A320-G324 PolarHBondContact O-N 2.82Å; D321-G324 CarbonylContact O-C 3.54Å; D321-G324 WeakPolarHBondContact O-CA 3.32Å; D321-G324 PolarHBondContact O-N 3.27Å; Y322-G324 PolarHBondContact O-N 3.34Å
325	E	79.2	Confident	82	Confident	138 Å²	138	65.5 Å²	65.5	65%	0.645	35%	0.351	S	S	*	.	H	α-helix	trans	-86.8	-51.6	-176	-67.7	-178.6	-172.9	0	0	113.5	D321 Y322	D321-E325 WeakPolarHBondContact O-CG 3.42Å; D321-E325 PolarHBondContact O-N 3.24Å; Y322-E325 PolarHBondContact O-N 2.83Å
326	T	67.2	Low	82.1	Confident	65 Å²	65	62.3 Å²	62.3	40%	0.399	34%	0.343	S	S	.	.			trans	-139.1	107.1	-174	-4	0	0	0	0	112.4	Y322 S328	Y322-T326 VanDerWaalsContact CE1-O 3.26Å; Y322-T326 WeakPolarHBondContact CE1-O 3.36Å; Y322-T326 CarbonylContact O-C 3.54Å; Y322-T326 VanDerWaalsContact O-C 3.31Å; Y322-T326 WeakPolarHBondContact O-CA 3.41Å; Y322-T326 PolarHBondContact O-N 3.35Å; T326-S328 PolarHBondContact O-N 2.81Å
327	K	67	Low	82.2	Confident	136 Å²	136	58.4 Å²	58.4	59%	0.591	33%	0.326	S	S	*	.			trans	-79.1	42	-178.6	-61.6	177.7	-178.5	174.9	0	113.8	H288	H288-K327 PolarHBondContact CD2-O 3.38Å
328	S	64.5	Low	82.5	Confident	62 Å²	62	58 Å²	58	43%	0.434	33%	0.325	S	S	.	.	S	Bend	trans	-96.5	-88.5	-166.7	-170.6	0	0	0	0	114.2	R289 T326	R289-S328 VanDerWaalsContact CZ-O 3.24Å; R289-S328 PolarHBondContact NH1-O 2.82Å; T326-S328 PolarHBondContact O-N 2.81Å
329	R	66.3	Low	82.8	Confident	129 Å²	129	60.5 Å²	60.5	49%	0.487	34%	0.338	S	S	.	.			trans	-146.4	116.1	-174.4	-73.8	-175.6	179.8	-169	0.3	109.9	R289 Y322	R289-R329 VanDerWaalsContact NH1-CG 3.25Å; Y322-R329 PolarHBondContact OH-N 2.86Å; Y322-R329 PolarHBondContact OH-O 3.02Å; Y322-R329 VanDerWaalsContact OH-O 3.12Å
330	S	69.1	Low	83.2	Confident	24 Å²	24	60.4 Å²	60.4	17%	0.168	34%	0.338	C	S	.	.			trans	-130.3	154	167.7	179.2	0	0	0	0	109.8	Y332	S330-Y332 WeakPolarHBondContact CB-O 3.27Å; S330-Y332 PolarHBondContact O-N 2.93Å; S330-Y332 PolarHBondContact OG-N 3.32Å; S330-Y332 PolarHBondContact OG-O 3.17Å
331	A	76.6	Confident	83.5	Confident	99 Å²	99	58.8 Å²	58.8	82%	0.818	32%	0.324	S	S	*	.	S	Bend	trans	-68.1	-19	169.9	0	0	0	0	0	112
332	Y	87.2	Confident	83.7	Confident	100 Å²	100	59.6 Å²	59.6	39%	0.392	33%	0.325	S	S	.	.	S	Bend	trans	-107.5	133.3	176.2	-63.4	-86.3	0	0	0	110	Q307 V319 F323 S330	Q307-Y332 HydrophobicContact CG-CD1 3.71Å; Q307-Y332 HydrophobicContact CG-CD2 4.25Å; Q307-Y332 HydrophobicContact CG-CE1 3.81Å; Q307-Y332 HydrophobicContact CG-CE2 4.35Å; Q307-Y332 HydrophobicContact CG-CG 3.94Å; V319-Y332 VanDerWaalsContact CG2-CB 3.45Å; V319-Y332 HydrophobicContact CG2-CD2 4.35Å; V319-Y332 HydrophobicContact CG2-CG 4.02Å; F323-Y332 WeakPolarHBondContact CE2-O 3.06Å; S330-Y332 WeakPolarHBondContact CB-O 3.27Å; S330-Y332 PolarHBondContact O-N 2.93Å; S330-Y332 PolarHBondContact OG-N 3.32Å; S330-Y332 PolarHBondContact OG-O 3.17Å
333	L	89.8	Confident	84	Confident	46 Å²	46	61.7 Å²	61.7	24%	0.241	33%	0.334	C	S	.	.			trans	-119.8	127.8	178.3	-61.5	174.1	0	0	0	108.8	V286 Y295 F323	V286-L333 HydrophobicContact CG1-CD1 3.72Å; V286-L333 HydrophobicContact CG1-CD2 4.32Å; Y295-L333 HydrophobicContact CD2-CD1 4.41Å; Y295-L333 HydrophobicContact CG-CD1 4.32Å; F323-L333 HydrophobicContact CZ-CD2 3.81Å
334	P	91	Very high	84.4	Confident	16 Å²	16	61.4 Å²	61.4	10%	0.104	33%	0.333	C	S	.	.			trans	-55	141.6	166.3	-23	31.5	0	0	0	110.9	V319 F323 E336 V337 C338	V319-P334 HydrophobicContact CG1-CG 3.96Å; F323-P334 HydrophobicContact CB-CG 4.15Å; F323-P334 HydrophobicContact CD1-CG 4.05Å; F323-P334 HydrophobicContact CD2-CG 3.73Å; F323-P334 HydrophobicContact CE1-CG 4.41Å; F323-P334 HydrophobicContact CE2-CG 4.12Å; F323-P334 HydrophobicContact CG-CG 3.69Å; F323-P334 HydrophobicContact CZ-CG 4.46Å; P334-E336 VanDerWaalsContact CB-OE2 3.24Å; P334-E336 WeakPolarHBondContact CB-OE2 3.45Å; P334-E336 PolarHBondContact O-N 3.07Å; P334-V337 HydrophobicContact CB-CG2 4.18Å; P334-V337 HydrophobicContact CG-CG2 4.36Å; P334-V337 WeakPolarHBondContact O-CG2 3.41Å; P334-V337 PolarHBondContact O-N 3.27Å; P334-C338 PolarHBondContact O-SG 3.22Å
335	V	91.8	Very high	85	Confident	41 Å²	41	64.4 Å²	64.4	25%	0.248	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-67.8	-24.4	-178.4	-67.6	0	0	0	0	112	V239 L240 I243 V337 C338	V239-V335 HydrophobicContact CG1-CB 4.02Å; V239-V335 HydrophobicContact CG1-CG1 4.02Å; L240-V335 HydrophobicContact CD2-CG2 3.68Å; L240-V335 HydrophobicContact CG-CG2 4.32Å; I243-V335 HydrophobicContact CD1-CB 4.25Å; I243-V335 HydrophobicContact CD1-CG1 4.08Å; I243-V335 HydrophobicContact CD1-CG2 4.41Å; V335-V337 PolarHBondContact O-N 3.14Å; V335-C338 PolarHBondContact O-N 3.04Å
336	E	90.6	Very high	85.7	Confident	95 Å²	95	59.3 Å²	59.3	44%	0.444	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60.4	-30.8	175.5	-64.1	70.1	-160.4	0	0	112	L240 P334	L240-E336 HydrophobicContact CD1-CB 4.5Å; L240-E336 HydrophobicContact CD1-CG 4.2Å; P334-E336 VanDerWaalsContact CB-OE2 3.24Å; P334-E336 WeakPolarHBondContact CB-OE2 3.45Å; P334-E336 PolarHBondContact O-N 3.07Å
337	V	91.2	Very high	86.7	Confident	24 Å²	24	57.7 Å²	57.7	15%	0.145	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-101.1	12	-175.7	-55.4	0	0	0	0	113.2	V286 T287 H288 F323 P334 V335	V286-V337 CarbonylContact C-O 3.48Å; V286-V337 VanDerWaalsContact CA-O 3.24Å; V286-V337 WeakPolarHBondContact CA-O 3.32Å; T287-V337 PolarHBondContact N-O 2.82Å; T287-V337 WeakPolarHBondContact OG1-CA 3.33Å; T287-V337 PolarHBondContact OG1-O 2.98Å; H288-V337 HydrophobicContact CB-CB 4.03Å; H288-V337 HydrophobicContact CB-CG1 3.89Å; H288-V337 WeakPolarHBondContact ND1-CG2 3.18Å; F323-V337 HydrophobicContact CE1-CG2 4.08Å; P334-V337 HydrophobicContact CB-CG2 4.18Å; P334-V337 HydrophobicContact CG-CG2 4.36Å; P334-V337 WeakPolarHBondContact O-CG2 3.41Å; P334-V337 PolarHBondContact O-N 3.27Å; V335-V337 PolarHBondContact O-N 3.14Å
338	C	94.6	Very high	87.5	Confident	8 Å²	8	54.3 Å²	54.3	5%	0.054	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.8	-175	-64.1	0	0	0	0	112.4	V239 V284 T285 P334 V335	V239-C338 HydrophobicContact CB-CB 4.07Å; V239-C338 HydrophobicContact CG2-CB 3.51Å; V239-C338 WeakPolarHBondContact CG2-O 3.38Å; V239-C338 PolarHBondContact N-O 3.06Å; V284-C338 HydrophobicContact CB-CB 4.34Å; V284-C338 HydrophobicContact CG2-CB 4.39Å; T285-C338 WeakPolarHBondContact O-CA 3.39Å; P334-C338 PolarHBondContact O-SG 3.22Å; V335-C338 PolarHBondContact O-N 3.04Å
339	N	96.1	Very high	88.4	Confident	53 Å²	53	54.7 Å²	54.7	28%	0.283	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.9	171.9	-76.3	-24.7	0	0	0	110.5	S238 V284 T285 T287 A341	S238-N339 VanDerWaalsContact CA-OD1 3.24Å; S238-N339 WeakPolarHBondContact CA-OD1 3.41Å; V284-N339 CarbonylContact C-O 3.57Å; V284-N339 WeakPolarHBondContact CA-O 3.42Å; V284-N339 WeakPolarHBondContact CB-O 3.48Å; T285-N339 PolarHBondContact N-O 2.81Å; T285-N339 PolarHBondContact O-N 2.81Å; T287-N339 WeakPolarHBondContact CG2-ND2 3.49Å; N339-A341 PolarHBondContact O-N 3.08Å
340	V	96.2	Very high	89.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	120.9	171	179.1	0	0	0	0	109	Q237 V239 Y242 I282	Q237-V340 PolarHBondContact O-N 2.77Å; V239-V340 HydrophobicContact CG2-CG2 4.27Å; Y242-V340 HydrophobicContact CD2-CG2 4.48Å; Y242-V340 HydrophobicContact CG-CG2 4.27Å; I282-V340 HydrophobicContact CG2-CG1 3.91Å; I282-V340 HydrophobicContact CG2-CG2 4.49Å
341	A	93.5	Very high	90.4	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.033	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.7	148.7	-177.5	0	0	0	0	0	111.8	R283 T285 Q294 N339 Q344	R283-A341 HydrophobicContact CB-CB 4.31Å; R283-A341 WeakPolarHBondContact O-CB 3.2Å; R283-A341 PolarHBondContact O-N 2.88Å; T285-A341 HydrophobicContact CG2-CB 4.32Å; Q294-A341 HydrophobicContact CG-CB 4.14Å; N339-A341 PolarHBondContact O-N 3.08Å; A341-Q344 PolarHBondContact O-NE2 3.2Å
342	Q	92.2	Very high	90.9	Very high	111 Å²	111	52.7 Å²	52.7	52%	0.519	28%	0.283	S	S	.	.	S	Bend	trans	-69	168.5	178.5	-67.3	-175.6	-2.1	0	0	113	S236 Q344	S236-Q342 VanDerWaalsContact OG-CG 3.26Å; S236-Q342 WeakPolarHBondContact OG-CG 3.42Å; Q342-Q344 VanDerWaalsContact C-N 3.29Å; Q342-Q344 PolarHBondContact O-N 2.92Å
343	K	93.1	Very high	90.8	Very high	60 Å²	60	54.1 Å²	54.1	26%	0.261	30%	0.298	S	S	.	.	S	Bend	trans	57.7	36	173.2	-53.5	-170.6	-172.5	-160.2	0	113.8	E180 F182 C183 V192 W207	E180-K343 PolarHBondContact O-NZ 2.86Å; F182-K343 PolarHBondContact O-NZ 2.8Å; C183-K343 HydrophobicContact CB-CB 4.26Å; C183-K343 HydrophobicContact CB-CD 4.16Å; C183-K343 HydrophobicContact CB-CG 4.19Å; V192-K343 HydrophobicContact CG2-CD 4.2Å; V192-K343 HydrophobicContact CG2-CG 4.21Å; W207-K343 HydrophobicContact CH2-CG 4.23Å; W207-K343 HydrophobicContact CZ3-CG 4.45Å
344	Q	93.8	Very high	90.7	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.065	30%	0.304	C	S	.	.			trans	-106.4	111.8	176.5	-66.4	-171.3	86.9	0	0	111.1	F233 Y234 R283 A341 Q342	F233-Q344 CarbonylContact C-O 3.51Å; F233-Q344 VanDerWaalsContact CA-O 3.32Å; F233-Q344 WeakPolarHBondContact CA-O 3.32Å; F233-Q344 WeakPolarHBondContact CD1-O 3.22Å; Y234-Q344 HydrophobicContact CD2-CB 3.85Å; Y234-Q344 WeakPolarHBondContact CD2-O 3.45Å; Y234-Q344 PolarHBondContact N-O 3.38Å; R283-Q344 PolarHBondContact O-NE2 3.01Å; A341-Q344 PolarHBondContact O-NE2 3.2Å; Q342-Q344 VanDerWaalsContact C-N 3.29Å; Q342-Q344 PolarHBondContact O-N 2.92Å
345	R	93.9	Very high	90.8	Very high	127 Å²	127	55.9 Å²	55.9	48%	0.479	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-67	133.7	179	-166.7	177.3	-179.5	-178.5	4	111.1	F233	F233-R345 HydrophobicContact CD1-CB 4.37Å; F233-R345 HydrophobicContact CE1-CB 4.14Å
346	Y	93.9	Very high	90.9	Very high	30 Å²	30	59.4 Å²	59.4	12%	0.118	31%	0.309	C	S	.	.			trans	-92.2	110.4	169.5	-167.6	-88.9	0	0	0	108.7	V204 A232 Y234 A348 R350 L351	V204-Y346 HydrophobicContact CG1-CD1 3.99Å; V204-Y346 HydrophobicContact CG1-CD2 4.25Å; V204-Y346 HydrophobicContact CG1-CG 3.79Å; V204-Y346 HydrophobicContact CG2-CD1 4.19Å; V204-Y346 HydrophobicContact CG2-CD2 3.51Å; V204-Y346 HydrophobicContact CG2-CE1 4.18Å; V204-Y346 HydrophobicContact CG2-CE2 3.54Å; V204-Y346 HydrophobicContact CG2-CG 3.87Å; A232-Y346 HydrophobicContact CB-CD1 4.36Å; A232-Y346 PolarHBondContact O-N 3.13Å; Y234-Y346 AromaticContact CD1-CD2 3.94Å; Y234-Y346 HydrophobicContact CD1-CD2 3.94Å; Y234-Y346 HydrophobicContact CD1-CE2 4.5Å; Y234-Y346 HydrophobicContact CD2-CD2 4.26Å; Y234-Y346 AromaticContact CE1-CD2 3.46Å; Y234-Y346 HydrophobicContact CE1-CD2 3.46Å; Y234-Y346 VanDerWaalsContact CE1-CD2 3.46Å; Y234-Y346 AromaticContact CE1-CE2 3.74Å; Y234-Y346 HydrophobicContact CE1-CE2 3.74Å; Y234-Y346 AromaticContact CE2-CD2 3.81Å; Y234-Y346 HydrophobicContact CE2-CD2 3.81Å; Y234-Y346 HydrophobicContact CG-CD2 4.33Å; Y234-Y346 AromaticContact CZ-CD2 3.4Å; Y234-Y346 AromaticContact CZ-CE2 3.83Å; Y346-A348 PolarHBondContact O-N 3.17Å; Y346-R350 HydrophobicContact CD1-CB 4.18Å; Y346-R350 HydrophobicContact CE1-CB 3.44Å; Y346-R350 VanDerWaalsContact CE1-CB 3.44Å; Y346-R350 WeakPolarHBondContact CE1-O 3.44Å; Y346-R350 HydrophobicContact CE2-CB 4.46Å; Y346-R350 PolarHBondContact OH-O 3.47Å; Y346-L351 HydrophobicContact CD1-CD2 3.65Å; Y346-L351 HydrophobicContact CD1-CG 4.13Å; Y346-L351 HydrophobicContact CE1-CD2 3.73Å; Y346-L351 HydrophobicContact CE1-CG 4.17Å
347	G	89.1	Confident	90.9	Very high	31 Å²	31	57.9 Å²	57.9	32%	0.32	31%	0.306	S	S	.	.			trans	-57.6	134.4	-174	0	0	0	0	0	112.7	G349 R350	G347-G349 PolarHBondContact O-N 2.9Å; G347-G349 VanDerWaalsContact O-N 3.11Å; G347-R350 WeakPolarHBondContact O-CB 3.28Å; G347-R350 PolarHBondContact O-N 3.26Å
348	A	83.9	Confident	91	Very high	65 Å²	65	58.7 Å²	58.7	54%	0.537	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-57	-31.8	-176.7	0	0	0	0	0	113.4	Y346 R350 L351 R356	Y346-A348 PolarHBondContact O-N 3.17Å; A348-R350 PolarHBondContact O-N 2.84Å; A348-L351 WeakPolarHBondContact O-CB 3.31Å; A348-L351 PolarHBondContact O-N 2.81Å; A348-R356 PolarHBondContact O-NH2 2.97Å
349	G	82.1	Confident	91	Very high	71 Å²	71	59.6 Å²	59.6	73%	0.732	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-64.1	-21.2	174.8	0	0	0	0	0	114.6	G347	G347-G349 PolarHBondContact O-N 2.9Å; G347-G349 VanDerWaalsContact O-N 3.11Å
350	R	86.7	Confident	90.9	Very high	143 Å²	143	62.8 Å²	62.8	54%	0.54	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-88.5	-9.2	178.7	-60	-177.3	177.9	-167.4	-5.4	113.4	Y234 Y346 G347 A348 S352	Y234-R350 PolarHBondContact OH-NH1 2.86Å; Y346-R350 HydrophobicContact CD1-CB 4.18Å; Y346-R350 HydrophobicContact CE1-CB 3.44Å; Y346-R350 VanDerWaalsContact CE1-CB 3.44Å; Y346-R350 WeakPolarHBondContact CE1-O 3.44Å; Y346-R350 HydrophobicContact CE2-CB 4.46Å; Y346-R350 PolarHBondContact OH-O 3.47Å; G347-R350 WeakPolarHBondContact O-CB 3.28Å; G347-R350 PolarHBondContact O-N 3.26Å; A348-R350 PolarHBondContact O-N 2.84Å; R350-S352 PolarHBondContact O-N 3.29Å
351	L	90.6	Very high	90.7	Very high	21 Å²	21	71.2 Å²	71.2	11%	0.11	36%	0.362	C	S	.	.			trans	-71	127.8	179.4	-67.1	171.7	0	0	0	109.8	L200 V204 A232 Y346 A348 Q355 R356 V359	L200-L351 HydrophobicContact CD1-CD2 4.47Å; V204-L351 HydrophobicContact CG1-CD2 4.43Å; A232-L351 HydrophobicContact CB-CD1 4.39Å; A232-L351 HydrophobicContact CB-CD2 3.93Å; Y346-L351 HydrophobicContact CD1-CD2 3.65Å; Y346-L351 HydrophobicContact CD1-CG 4.13Å; Y346-L351 HydrophobicContact CE1-CD2 3.73Å; Y346-L351 HydrophobicContact CE1-CG 4.17Å; A348-L351 WeakPolarHBondContact O-CB 3.31Å; A348-L351 PolarHBondContact O-N 2.81Å; L351-Q355 HydrophobicContact CB-CB 4.19Å; L351-Q355 HydrophobicContact CD2-CB 3.9Å; L351-R356 HydrophobicContact CB-CG 3.82Å; L351-R356 PolarHBondContact O-NE 3.38Å; L351-R356 VanDerWaalsContact O-NE 3.11Å; L351-V359 HydrophobicContact CD1-CG2 4.3Å
352	S	88	Confident	90.6	Very high	46 Å²	46	75.5 Å²	75.5	32%	0.322	38%	0.381	S	S	.	.			trans	-67	162	172.1	75.8	0	0	0	0	111.3	R350 Y354 Q355 R356	R350-S352 PolarHBondContact O-N 3.29Å; S352-Y354 PolarHBondContact O-N 3.45Å; S352-Q355 VanDerWaalsContact N-OE1 3.14Å; S352-Q355 PolarHBondContact O-N 3.15Å; S352-Q355 WeakPolarHBondContact OG-CG 3.33Å; S352-Q355 PolarHBondContact OG-N 3.2Å; S352-R356 WeakPolarHBondContact O-CG 3.27Å; S352-R356 PolarHBondContact O-N 3.06Å
353	N	85.8	Confident	90.6	Very high	129 Å²	129	71.9 Å²	71.9	69%	0.69	37%	0.368	S	S	*	.	H	α-helix	trans	-56.7	-34.2	176.6	-70.5	-18.6	0	0	0	112.6	T357	N353-T357 PolarHBondContact O-N 2.71Å; N353-T357 PolarHBondContact O-OG1 2.96Å
354	Y	87.2	Confident	90.6	Very high	97 Å²	97	72.6 Å²	72.6	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-49.3	174	177.6	-95.5	0	0	0	111.3	K201 F202 S352 T357 L358	K201-Y354 HydrophobicContact CB-CE1 4.48Å; K201-Y354 HydrophobicContact CG-CE1 3.9Å; F202-Y354 HydrophobicContact CE2-CD1 4.41Å; S352-Y354 PolarHBondContact O-N 3.45Å; Y354-T357 WeakPolarHBondContact O-CB 3.35Å; Y354-T357 PolarHBondContact O-N 3.09Å; Y354-L358 HydrophobicContact CD1-CD1 4.02Å; Y354-L358 HydrophobicContact CD1-CG 4.48Å; Y354-L358 HydrophobicContact CE1-CD1 3.39Å; Y354-L358 HydrophobicContact CE1-CG 4.07Å; Y354-L358 PolarHBondContact O-N 3.06Å
355	Q	92.9	Very high	90.6	Very high	3 Å²	3	74.4 Å²	74.4	1%	0.014	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-44.1	177.8	-64.3	-177.3	-60.6	0	0	111.9	L200 K201 F202 L351 S352 T357 L358 V359	L200-Q355 VanDerWaalsContact O-CG 3.27Å; L200-Q355 WeakPolarHBondContact O-CG 3.39Å; L200-Q355 PolarHBondContact O-NE2 3.31Å; K201-Q355 PolarHBondContact O-NE2 2.98Å; F202-Q355 HydrophobicContact CD2-CG 4.12Å; F202-Q355 HydrophobicContact CE2-CG 4.43Å; L351-Q355 HydrophobicContact CB-CB 4.19Å; L351-Q355 HydrophobicContact CD2-CB 3.9Å; S352-Q355 VanDerWaalsContact N-OE1 3.14Å; S352-Q355 PolarHBondContact O-N 3.15Å; S352-Q355 WeakPolarHBondContact OG-CG 3.33Å; S352-Q355 PolarHBondContact OG-N 3.2Å; Q355-T357 PolarHBondContact O-N 3.35Å; Q355-L358 WeakPolarHBondContact O-CA 3.35Å; Q355-L358 WeakPolarHBondContact O-CB 3.42Å; Q355-L358 PolarHBondContact O-N 2.92Å; Q355-V359 WeakPolarHBondContact O-CG2 3.34Å; Q355-V359 PolarHBondContact O-N 3.34Å
356	R	92.7	Very high	90.6	Very high	115 Å²	115	70.1 Å²	70.1	43%	0.434	38%	0.38	S	S	.	.	H	α-helix	trans	-55.2	-42.6	174.5	-69.2	176.5	-176	-128	2.8	111.5	A348 L351 S352 V359 I360	A348-R356 PolarHBondContact O-NH2 2.97Å; L351-R356 HydrophobicContact CB-CG 3.82Å; L351-R356 PolarHBondContact O-NE 3.38Å; L351-R356 VanDerWaalsContact O-NE 3.11Å; S352-R356 WeakPolarHBondContact O-CG 3.27Å; S352-R356 PolarHBondContact O-N 3.06Å; R356-V359 PolarHBondContact O-N 3.43Å; R356-I360 VanDerWaalsContact O-CG1 3.28Å; R356-I360 WeakPolarHBondContact O-CG1 3.31Å; R356-I360 PolarHBondContact O-N 3.32Å
357	T	92.1	Very high	90.6	Very high	62 Å²	62	69.4 Å²	69.4	38%	0.38	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-42	175.7	-55.5	0	0	0	0	112	N353 Y354 Q355 I360 R361	N353-T357 PolarHBondContact O-N 2.71Å; N353-T357 PolarHBondContact O-OG1 2.96Å; Y354-T357 WeakPolarHBondContact O-CB 3.35Å; Y354-T357 PolarHBondContact O-N 3.09Å; Q355-T357 PolarHBondContact O-N 3.35Å; T357-I360 PolarHBondContact O-N 2.67Å; T357-R361 WeakPolarHBondContact O-CG 3.39Å; T357-R361 PolarHBondContact O-N 3.09Å
358	L	93.5	Very high	90.9	Very high	41 Å²	41	69 Å²	69	22%	0.215	37%	0.373	C	S	.	.	H	α-helix	trans	-63.3	-43.9	174.8	-69.8	-179.9	0	0	0	111.9	L200 Y354 Q355 R361 Q362	L200-L358 HydrophobicContact CD2-CB 3.85Å; Y354-L358 HydrophobicContact CD1-CD1 4.02Å; Y354-L358 HydrophobicContact CD1-CG 4.48Å; Y354-L358 HydrophobicContact CE1-CD1 3.39Å; Y354-L358 HydrophobicContact CE1-CG 4.07Å; Y354-L358 PolarHBondContact O-N 3.06Å; Q355-L358 WeakPolarHBondContact O-CA 3.35Å; Q355-L358 WeakPolarHBondContact O-CB 3.42Å; Q355-L358 PolarHBondContact O-N 2.92Å; L358-R361 PolarHBondContact O-N 3.16Å; L358-Q362 WeakPolarHBondContact O-CB 3.42Å; L358-Q362 PolarHBondContact O-N 3.19Å
359	V	94.9	Very high	91.4	Very high	28 Å²	28	68.1 Å²	68.1	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-58.9	-49.3	175.9	176	0	0	0	0	110.7	L200 L206 L351 Q355 R356 R361 Q362 C363	L200-V359 HydrophobicContact CD1-CG2 3.59Å; L200-V359 HydrophobicContact CD2-CG2 3.79Å; L200-V359 HydrophobicContact CG-CG2 4.36Å; L206-V359 HydrophobicContact CD1-CG1 4.06Å; L206-V359 HydrophobicContact CD1-CG2 4.03Å; L206-V359 HydrophobicContact CD2-CG1 4.48Å; L351-V359 HydrophobicContact CD1-CG2 4.3Å; Q355-V359 WeakPolarHBondContact O-CG2 3.34Å; Q355-V359 PolarHBondContact O-N 3.34Å; R356-V359 PolarHBondContact O-N 3.43Å; V359-R361 VanDerWaalsContact C-N 3.31Å; V359-R361 PolarHBondContact O-N 2.95Å; V359-Q362 PolarHBondContact O-N 3.5Å; V359-C363 WeakPolarHBondContact O-CB 3.43Å; V359-C363 PolarHBondContact O-N 3.22Å; V359-C363 PolarHBondContact O-SG 3.33Å
360	I	93.6	Very high	92.1	Very high	120 Å²	120	66.8 Å²	66.8	62%	0.615	33%	0.334	S	S	*	.	H	α-helix	trans	-57.2	-46.4	178.6	-70.1	164.2	0	0	0	110.7	R356 T357 Q362 C363 A364	R356-I360 VanDerWaalsContact O-CG1 3.28Å; R356-I360 WeakPolarHBondContact O-CG1 3.31Å; R356-I360 PolarHBondContact O-N 3.32Å; T357-I360 PolarHBondContact O-N 2.67Å; I360-Q362 PolarHBondContact O-N 3.45Å; I360-C363 PolarHBondContact O-N 2.71Å; I360-A364 WeakPolarHBondContact O-CB 3.39Å; I360-A364 PolarHBondContact O-N 3.12Å
361	R	92.3	Very high	92.5	Very high	178 Å²	178	60.9 Å²	60.9	67%	0.672	31%	0.312	S	S	*	.	H	α-helix	trans	-63.6	-41.1	178.4	-73.6	175.8	-179.3	-176.4	-0.7	112.5	T357 L358 V359 A364	T357-R361 WeakPolarHBondContact O-CG 3.39Å; T357-R361 PolarHBondContact O-N 3.09Å; L358-R361 PolarHBondContact O-N 3.16Å; V359-R361 VanDerWaalsContact C-N 3.31Å; V359-R361 PolarHBondContact O-N 2.95Å; R361-A364 PolarHBondContact O-N 2.72Å
362	Q	91.2	Very high	92.7	Very high	94 Å²	94	65.1 Å²	65.1	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-72.4	-31.6	-179.1	-168.9	61.3	34.4	0	0	112.7	V198 L206 L358 V359 I360 A364	V198-Q362 HydrophobicContact CB-CG 4.28Å; V198-Q362 HydrophobicContact CG1-CG 3.94Å; V198-Q362 HydrophobicContact CG2-CG 4.08Å; L206-Q362 HydrophobicContact CD2-CB 3.89Å; L206-Q362 HydrophobicContact CD2-CG 3.77Å; L358-Q362 WeakPolarHBondContact O-CB 3.42Å; L358-Q362 PolarHBondContact O-N 3.19Å; V359-Q362 PolarHBondContact O-N 3.5Å; I360-Q362 PolarHBondContact O-N 3.45Å; Q362-A364 VanDerWaalsContact C-N 3.34Å
363	C	92.3	Very high	93	Very high	35 Å²	35	64.5 Å²	64.5	24%	0.236	32%	0.324	C	S	.	.	H	α-helix	trans	-83.4	-13.4	177.4	-60.1	0	0	0	0	112.7	H230 V359 I360 M365	H230-C363 VanDerWaalsContact CG-SG 3.52Å; V359-C363 WeakPolarHBondContact O-CB 3.43Å; V359-C363 PolarHBondContact O-N 3.22Å; V359-C363 PolarHBondContact O-SG 3.33Å; I360-C363 PolarHBondContact O-N 2.71Å; C363-M365 PolarHBondContact O-N 3.12Å
364	A	92.2	Very high	93.5	Very high	74 Å²	74	58.4 Å²	58.4	61%	0.612	29%	0.292	S	S	*	.			trans	-72.1	117.5	179.2	0	0	0	0	0	109.9	I360 R361 Q362	I360-A364 WeakPolarHBondContact O-CB 3.39Å; I360-A364 PolarHBondContact O-N 3.12Å; R361-A364 PolarHBondContact O-N 2.72Å; Q362-A364 VanDerWaalsContact C-N 3.34Å
365	M	93.1	Very high	93.9	Very high	52 Å²	52	55.6 Å²	55.6	26%	0.256	29%	0.285	S	S	.	.			trans	-151.6	157.4	178.3	59	-170.1	63.5	0	0	108.1	C363 T369 R370 M373	C363-M365 PolarHBondContact O-N 3.12Å; M365-T369 HydrophobicContact CB-CG2 4.36Å; M365-R370 HydrophobicContact CG-CB 4.07Å; M365-R370 HydrophobicContact SD-CB 3.81Å; M365-R370 HydrophobicContact SD-CG 4.07Å; M365-M373 HydrophobicContact CE-CE 4.11Å; M365-M373 HydrophobicContact CE-SD 3.5Å; M365-M373 WeakPolarHBondContact CE-SD 3.32Å; M365-M373 HydrophobicContact SD-SD 3.58Å
366	D	95.2	Very high	94	Very high	37 Å²	37	59.2 Å²	59.2	20%	0.198	30%	0.302	C	S	.	.			trans	-75.6	163.9	173.2	64.8	71.2	0	0	0	112.3	P368 T369 R370 G730 R731	D366-P368 VanDerWaalsContact OD1-CD 3.27Å; D366-P368 WeakPolarHBondContact OD1-CD 3.21Å; D366-T369 PolarHBondContact O-N 3.27Å; D366-T369 WeakPolarHBondContact OD1-CB 3.45Å; D366-T369 PolarHBondContact OD1-N 3.34Å; D366-T369 PolarHBondContact OD1-OG1 3.29Å; D366-T369 VanDerWaalsContact OD1-OG1 3.13Å; D366-T369 PolarHBondContact OD2-OG1 3.03Å; D366-R370 PolarHBondContact O-N 3.28Å; D366-G730 VanDerWaalsContact CA-O 3.27Å; D366-G730 WeakPolarHBondContact CA-O 3.24Å; D366-G730 VanDerWaalsContact CB-O 3.32Å; D366-G730 WeakPolarHBondContact CB-O 3.42Å; D366-R731 HydrophobicContact CB-CB 4.35Å; D366-R731 HydrophobicContact CB-CG 4.4Å; D366-R731 VanDerWaalsContact CG-NH2 3.33Å; D366-R731 IonicContact OD1-CZ 3.38Å; D366-R731 IonicContact OD1-NE 3.64Å; D366-R731 PolarHBondContact OD1-NE 3.24Å; D366-R731 IonicContact OD1-NH2 3.85Å; D366-R731 PolarHBondContact OD1-NH2 3.23Å; D366-R731 IonicContact OD2-NE 2.7Å; D366-R731 IonicContact OD2-NH2 2.74Å; D366-R731 PolarHBondContact OD2-NH2 3.04Å
367	A	94.1	Very high	94.1	Very high	16 Å²	16	53.9 Å²	53.9	13%	0.132	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-45.9	-171.8	0	0	0	0	0	113.8	R370 L371 M719 G730	A367-R370 WeakPolarHBondContact O-CB 3.38Å; A367-R370 PolarHBondContact O-N 2.9Å; A367-L371 PolarHBondContact O-N 3.25Å; A367-L371 VanDerWaalsContact O-N 3.09Å; A367-M719 HydrophobicContact CB-CB 3.99Å; A367-G730 PolarHBondContact N-O 2.9Å
368	P	94.6	Very high	94.2	Very high	22 Å²	22	52 Å²	52	14%	0.143	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-41.4	175.6	-25.5	35.5	0	0	0	113.7	D366 R370 L371 Q372 M719 R731	D366-P368 VanDerWaalsContact OD1-CD 3.27Å; D366-P368 WeakPolarHBondContact OD1-CD 3.21Å; P368-R370 VanDerWaalsContact C-N 3.26Å; P368-R370 PolarHBondContact O-N 3.2Å; P368-L371 PolarHBondContact O-N 2.9Å; P368-Q372 PolarHBondContact O-N 2.75Å; P368-M719 HydrophobicContact CB-SD 4.44Å; P368-R731 HydrophobicContact CG-CB 4.49Å
369	T	95.3	Very high	94.2	Very high	46 Å²	46	57.9 Å²	57.9	28%	0.282	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-38.4	174.8	-64.9	0	0	0	0	111.3	M365 D366 Q372 M373	M365-T369 HydrophobicContact CB-CG2 4.36Å; D366-T369 PolarHBondContact O-N 3.27Å; D366-T369 WeakPolarHBondContact OD1-CB 3.45Å; D366-T369 PolarHBondContact OD1-N 3.34Å; D366-T369 PolarHBondContact OD1-OG1 3.29Å; D366-T369 VanDerWaalsContact OD1-OG1 3.13Å; D366-T369 PolarHBondContact OD2-OG1 3.03Å; T369-Q372 PolarHBondContact O-N 2.97Å; T369-M373 WeakPolarHBondContact O-CG 3.44Å; T369-M373 PolarHBondContact O-N 3.17Å
370	R	95	Very high	94.1	Very high	44 Å²	44	61.1 Å²	61.1	17%	0.166	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-44.2	174.7	-174.6	179.2	-174.1	77.9	-4.9	112.4	D227 V228 M365 D366 A367 P368 M373 C374	D227-R370 IonicContact OD1-CZ 3.78Å; D227-R370 IonicContact OD1-NE 2.69Å; D227-R370 PolarHBondContact OD1-NE 3.49Å; D227-R370 IonicContact OD1-NH2 2.61Å; D227-R370 PolarHBondContact OD1-NH2 2.85Å; D227-R370 IonicContact OD2-CZ 3.48Å; D227-R370 IonicContact OD2-NE 3.79Å; D227-R370 IonicContact OD2-NH2 3.72Å; D227-R370 PolarHBondContact OD2-NH2 2.91Å; V228-R370 PolarHBondContact O-NH1 2.97Å; V228-R370 PolarHBondContact O-NH2 3.02Å; M365-R370 HydrophobicContact CG-CB 4.07Å; M365-R370 HydrophobicContact SD-CB 3.81Å; M365-R370 HydrophobicContact SD-CG 4.07Å; D366-R370 PolarHBondContact O-N 3.28Å; A367-R370 WeakPolarHBondContact O-CB 3.38Å; A367-R370 PolarHBondContact O-N 2.9Å; P368-R370 VanDerWaalsContact C-N 3.26Å; P368-R370 PolarHBondContact O-N 3.2Å; R370-M373 PolarHBondContact O-N 3.08Å; R370-C374 PolarHBondContact O-N 2.83Å; R370-C374 PolarHBondContact O-SG 2.73Å
371	L	95	Very high	94	Very high	18 Å²	18	55.4 Å²	55.4	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-38.7	179.5	-165.6	70.1	0	0	0	111.6	V33 N35 A367 P368 M373 C374 T375 Y400 M719	V33-L371 HydrophobicContact CG1-CD2 3.87Å; N35-L371 HydrophobicContact CB-CD1 3.91Å; A367-L371 PolarHBondContact O-N 3.25Å; A367-L371 VanDerWaalsContact O-N 3.09Å; P368-L371 PolarHBondContact O-N 2.9Å; L371-M373 VanDerWaalsContact C-N 3.33Å; L371-M373 PolarHBondContact O-N 2.86Å; L371-C374 WeakPolarHBondContact O-CB 3.47Å; L371-C374 PolarHBondContact O-N 2.73Å; L371-C374 VanDerWaalsContact O-N 3.16Å; L371-T375 PolarHBondContact O-N 2.73Å; L371-T375 PolarHBondContact O-OG1 3.23Å; L371-Y400 HydrophobicContact CD1-CD1 3.91Å; L371-Y400 HydrophobicContact CD1-CD2 3.88Å; L371-Y400 HydrophobicContact CD1-CE1 3.63Å; L371-Y400 HydrophobicContact CD1-CE2 3.6Å; L371-Y400 HydrophobicContact CD1-CG 4.01Å; L371-Y400 VanDerWaalsContact CD1-CZ 3.45Å; L371-Y400 HydrophobicContact CD2-CD2 3.58Å; L371-Y400 HydrophobicContact CD2-CE2 3.77Å; L371-Y400 HydrophobicContact CD2-CG 4.15Å; L371-Y400 HydrophobicContact CG-CD2 3.82Å; L371-Y400 HydrophobicContact CG-CE1 4.44Å; L371-Y400 HydrophobicContact CG-CE2 3.47Å; L371-Y400 VanDerWaalsContact CG-CE2 3.47Å; L371-Y400 HydrophobicContact CG-CG 4.42Å; L371-Y400 PolarHBondContact O-OH 3.09Å; L371-M719 HydrophobicContact CB-SD 3.72Å; L371-M719 HydrophobicContact CD2-CE 3.29Å; L371-M719 HydrophobicContact CD2-CG 4.37Å; L371-M719 HydrophobicContact CD2-SD 3.32Å; L371-M719 WeakPolarHBondContact CD2-SD 3.5Å; L371-M719 HydrophobicContact CG-SD 4.12Å
372	Q	95.5	Very high	94	Very high	111 Å²	111	50.3 Å²	50.3	52%	0.519	25%	0.252	S	S	.	.	H	α-helix	trans	-58.6	-46	171.8	-178.2	-176.1	-12.6	0	0	111.2	P368 T369 C374 T375 E376	P368-Q372 PolarHBondContact O-N 2.75Å; T369-Q372 PolarHBondContact O-N 2.97Å; Q372-C374 VanDerWaalsContact C-N 3.29Å; Q372-C374 PolarHBondContact O-N 2.92Å; Q372-T375 WeakPolarHBondContact O-CA 3.44Å; Q372-T375 WeakPolarHBondContact O-CB 3.41Å; Q372-T375 PolarHBondContact O-N 3.16Å; Q372-T375 VanDerWaalsContact O-N 3.08Å; Q372-E376 PolarHBondContact NE2-OE1 3.46Å; Q372-E376 WeakPolarHBondContact O-CG 3.42Å; Q372-E376 PolarHBondContact O-N 3Å
373	M	95.1	Very high	94	Very high	32 Å²	32	46.1 Å²	46.1	16%	0.158	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-36.5	175.6	-74.5	-176.5	70.1	0	0	112.3	V228 M365 T369 R370 L371 T375 E376 M377	V228-M373 HydrophobicContact CG1-CE 4.25Å; V228-M373 HydrophobicContact CG2-CB 3.66Å; M365-M373 HydrophobicContact CE-CE 4.11Å; M365-M373 HydrophobicContact CE-SD 3.5Å; M365-M373 WeakPolarHBondContact CE-SD 3.32Å; M365-M373 HydrophobicContact SD-SD 3.58Å; T369-M373 WeakPolarHBondContact O-CG 3.44Å; T369-M373 PolarHBondContact O-N 3.17Å; R370-M373 PolarHBondContact O-N 3.08Å; L371-M373 VanDerWaalsContact C-N 3.33Å; L371-M373 PolarHBondContact O-N 2.86Å; M373-T375 VanDerWaalsContact C-N 3.34Å; M373-E376 PolarHBondContact O-N 3.48Å; M373-M377 WeakPolarHBondContact O-CB 3.38Å; M373-M377 VanDerWaalsContact O-CG 3.27Å; M373-M377 WeakPolarHBondContact O-CG 3.43Å; M373-M377 PolarHBondContact O-N 3.3Å
374	C	95.5	Very high	93.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-49.2	171.5	-63.4	0	0	0	0	110.1	I226 R370 L371 Q372 E376 M377 M378 Y400	I226-C374 HydrophobicContact CG2-CB 4.44Å; R370-C374 PolarHBondContact O-N 2.83Å; R370-C374 PolarHBondContact O-SG 2.73Å; L371-C374 WeakPolarHBondContact O-CB 3.47Å; L371-C374 PolarHBondContact O-N 2.73Å; L371-C374 VanDerWaalsContact O-N 3.16Å; Q372-C374 VanDerWaalsContact C-N 3.29Å; Q372-C374 PolarHBondContact O-N 2.92Å; C374-E376 PolarHBondContact O-N 3.2Å; C374-M377 PolarHBondContact O-N 3.17Å; C374-M378 VanDerWaalsContact O-CG 3.28Å; C374-M378 WeakPolarHBondContact O-CG 3.27Å; C374-M378 PolarHBondContact O-N 3.4Å; C374-Y400 WeakPolarHBondContact CB-OH 3.25Å
375	T	95.6	Very high	93.7	Very high	38 Å²	38	48.9 Å²	48.9	23%	0.233	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-44.8	178.9	-54.3	0	0	0	0	112.8	L371 Q372 M373 M377 M378 R379 Y400	L371-T375 PolarHBondContact O-N 2.73Å; L371-T375 PolarHBondContact O-OG1 3.23Å; Q372-T375 WeakPolarHBondContact O-CA 3.44Å; Q372-T375 WeakPolarHBondContact O-CB 3.41Å; Q372-T375 PolarHBondContact O-N 3.16Å; Q372-T375 VanDerWaalsContact O-N 3.08Å; M373-T375 VanDerWaalsContact C-N 3.34Å; T375-M377 VanDerWaalsContact C-N 3.34Å; T375-M377 PolarHBondContact O-N 3.34Å; T375-M378 PolarHBondContact O-N 2.92Å; T375-R379 WeakPolarHBondContact O-CG 3.48Å; T375-R379 PolarHBondContact O-N 3.38Å; T375-Y400 PolarHBondContact N-OH 3.17Å; T375-Y400 VanDerWaalsContact OG1-CE2 3.31Å; T375-Y400 WeakPolarHBondContact OG1-CE2 3.32Å; T375-Y400 PolarHBondContact OG1-OH 3.22Å
376	E	95.2	Very high	93.7	Very high	80 Å²	80	46.5 Å²	46.5	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-44	176	-71.5	172.4	-169.1	0	0	111.6	Q372 M373 C374 R379 W380	Q372-E376 PolarHBondContact NE2-OE1 3.46Å; Q372-E376 WeakPolarHBondContact O-CG 3.42Å; Q372-E376 PolarHBondContact O-N 3Å; M373-E376 PolarHBondContact O-N 3.48Å; C374-E376 PolarHBondContact O-N 3.2Å; E376-R379 PolarHBondContact O-N 2.86Å; E376-W380 WeakPolarHBondContact O-CB 3.26Å; E376-W380 PolarHBondContact O-N 2.99Å
377	M	94.2	Very high	93.6	Very high	3 Å²	3	49 Å²	49	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-68.9	-34.3	178.5	-70.2	-160.2	77	0	0	112.7	R208 L210 V228 M373 C374 T375 W380 A381	R208-M377 HydrophobicContact CB-CE 4.47Å; R208-M377 HydrophobicContact CB-SD 4.34Å; R208-M377 HydrophobicContact CG-CE 4.05Å; R208-M377 HydrophobicContact CG-SD 4.26Å; L210-M377 HydrophobicContact CB-CB 4.31Å; L210-M377 HydrophobicContact CB-CE 4.08Å; L210-M377 HydrophobicContact CD1-CB 3.78Å; L210-M377 HydrophobicContact CD2-CB 4.29Å; L210-M377 HydrophobicContact CG-CB 4.37Å; V228-M377 HydrophobicContact CG2-SD 4.4Å; M373-M377 WeakPolarHBondContact O-CB 3.38Å; M373-M377 VanDerWaalsContact O-CG 3.27Å; M373-M377 WeakPolarHBondContact O-CG 3.43Å; M373-M377 PolarHBondContact O-N 3.3Å; C374-M377 PolarHBondContact O-N 3.17Å; T375-M377 VanDerWaalsContact C-N 3.34Å; T375-M377 PolarHBondContact O-N 3.34Å; M377-W380 PolarHBondContact O-N 2.98Å; M377-A381 VanDerWaalsContact O-CB 3.26Å; M377-A381 WeakPolarHBondContact O-CB 3.43Å; M377-A381 PolarHBondContact O-N 3.25Å
378	M	94.4	Very high	93.7	Very high	23 Å²	23	48.2 Å²	48.2	11%	0.113	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-43.7	173.6	-70.8	-165.1	-68.8	0	0	112.3	L37 L210 I226 C374 T375 A381 E382 L383 Y400	L37-M378 HydrophobicContact CD1-CE 4.12Å; L37-M378 HydrophobicContact CD1-SD 3.48Å; L37-M378 WeakPolarHBondContact CD1-SD 3.31Å; L210-M378 HydrophobicContact CD2-CG 4.2Å; I226-M378 HydrophobicContact CD1-CG 3.99Å; I226-M378 HydrophobicContact CD1-SD 3.31Å; I226-M378 WeakPolarHBondContact CD1-SD 3.41Å; I226-M378 HydrophobicContact CG1-SD 4.47Å; I226-M378 HydrophobicContact CG2-CG 3.9Å; I226-M378 HydrophobicContact CG2-SD 4.11Å; C374-M378 VanDerWaalsContact O-CG 3.28Å; C374-M378 WeakPolarHBondContact O-CG 3.27Å; C374-M378 PolarHBondContact O-N 3.4Å; T375-M378 PolarHBondContact O-N 2.92Å; M378-A381 CarbonylContact O-C 3.58Å; M378-A381 PolarHBondContact O-N 2.92Å; M378-E382 PolarHBondContact O-N 3.34Å; M378-L383 HydrophobicContact CB-CD1 4.01Å; M378-L383 HydrophobicContact CG-CD1 3.77Å; M378-L383 PolarHBondContact O-N 3.39Å; M378-L383 HydrophobicContact SD-CD1 4.39Å; M378-Y400 HydrophobicContact CE-CE1 4.11Å; M378-Y400 WeakPolarHBondContact CE-OH 3.35Å
379	R	94.1	Very high	93.8	Very high	164 Å²	164	47.2 Å²	47.2	62%	0.619	22%	0.218	S	C	*	.	H	α-helix	trans	-62.6	-44.8	174.5	-72.1	177.3	178.8	170.6	0.2	111	T375 E376 A381 E382	T375-R379 WeakPolarHBondContact O-CG 3.48Å; T375-R379 PolarHBondContact O-N 3.38Å; E376-R379 PolarHBondContact O-N 2.86Å; R379-A381 PolarHBondContact O-N 2.66Å; R379-E382 PolarHBondContact O-N 3.01Å
380	W	91.8	Very high	93.7	Very high	95 Å²	95	50.3 Å²	50.3	36%	0.36	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-32.1	175.1	-176.5	-109	0	0	0	113.1	F182 E376 M377 E382	F182-W380 AromaticContact CE1-CD1 3.82Å; F182-W380 AromaticContact CZ-CD1 3.56Å; F182-W380 AromaticContact CZ-NE1 3.86Å; E376-W380 WeakPolarHBondContact O-CB 3.26Å; E376-W380 PolarHBondContact O-N 2.99Å; M377-W380 PolarHBondContact O-N 2.98Å; W380-E382 VanDerWaalsContact C-N 3.34Å
381	A	92.7	Very high	93.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.8	174.7	0	0	0	0	0	114.3	R171 F182 L210 M377 M378 R379 L383	R171-A381 HydrophobicContact CG-CB 4.47Å; F182-A381 HydrophobicContact CZ-CB 4.15Å; L210-A381 HydrophobicContact CD2-CB 4.03Å; M377-A381 VanDerWaalsContact O-CB 3.26Å; M377-A381 WeakPolarHBondContact O-CB 3.43Å; M377-A381 PolarHBondContact O-N 3.25Å; M378-A381 CarbonylContact O-C 3.58Å; M378-A381 PolarHBondContact O-N 2.92Å; R379-A381 PolarHBondContact O-N 2.66Å; A381-L383 HydrophobicContact CB-CD1 4.44Å; A381-L383 HydrophobicContact CB-CG 4.06Å; A381-L383 PolarHBondContact O-N 3.18Å
382	E	92.4	Very high	93.7	Very high	72 Å²	72	49.9 Å²	49.9	34%	0.336	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	31.7	-176.8	-64.2	171.7	-156.9	0	0	114	R178 M378 R379 W380 E384 N385 D386	R178-E382 IonicContact CZ-OE2 3.26Å; R178-E382 IonicContact NH1-OE2 3.12Å; R178-E382 PolarHBondContact NH1-OE2 2.82Å; M378-E382 PolarHBondContact O-N 3.34Å; R379-E382 PolarHBondContact O-N 3.01Å; W380-E382 VanDerWaalsContact C-N 3.34Å; E382-E384 PolarHBondContact O-N 2.94Å; E382-N385 CarbonylContact O-C 3.58Å; E382-N385 PolarHBondContact O-N 3.49Å; E382-D386 PolarHBondContact O-N 3.05Å
383	L	91.4	Very high	93.7	Very high	5 Å²	5	45 Å²	45	3%	0.026	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.2	-33.6	-176	-79.2	170.4	0	0	0	113.7	L210 I212 I226 M378 A381 N385 D386 I396	L210-L383 HydrophobicContact CD2-CD1 3.78Å; I212-L383 HydrophobicContact CD1-CD1 3.53Å; I212-L383 HydrophobicContact CD1-CD2 3.85Å; I212-L383 HydrophobicContact CD1-CG 4.26Å; I226-L383 HydrophobicContact CD1-CD1 4.12Å; M378-L383 HydrophobicContact CB-CD1 4.01Å; M378-L383 HydrophobicContact CG-CD1 3.77Å; M378-L383 PolarHBondContact O-N 3.39Å; M378-L383 HydrophobicContact SD-CD1 4.39Å; A381-L383 HydrophobicContact CB-CD1 4.44Å; A381-L383 HydrophobicContact CB-CG 4.06Å; A381-L383 PolarHBondContact O-N 3.18Å; L383-N385 PolarHBondContact O-N 2.87Å; L383-D386 PolarHBondContact O-N 3.29Å; L383-I396 HydrophobicContact CD2-CD1 4.48Å
384	E	87.4	Confident	93.7	Very high	85 Å²	85	43.5 Å²	43.5	40%	0.397	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-66.2	-17.8	178.5	64.4	-173.6	177.3	0	0	113.7	E382 R398	E382-E384 PolarHBondContact O-N 2.94Å; E384-R398 PolarHBondContact O-NH2 3.24Å; E384-R398 VanDerWaalsContact O-NH2 3.16Å
385	N	89	Confident	93.6	Very high	83 Å²	83	44.9 Å²	44.9	44%	0.444	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-121	15.4	-178.9	-74.3	-45.2	0	0	0	112.7	E382 L383 E387 K390	E382-N385 CarbonylContact O-C 3.58Å; E382-N385 PolarHBondContact O-N 3.49Å; L383-N385 PolarHBondContact O-N 2.87Å; N385-E387 PolarHBondContact O-N 3.03Å; N385-E387 VanDerWaalsContact O-N 3.16Å; N385-K390 PolarHBondContact OD1-NZ 3.24Å
386	D	93.3	Very high	93.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.011	20%	0.197	C	C	.	.			trans	-60.4	118.3	-174.9	-165.4	-61.8	0	0	0	111.5	G170 R171 E382 L383 F388 L389 K390	G170-D386 WeakPolarHBondContact CA-OD2 3.11Å; R171-D386 IonicContact NH1-OD2 2.76Å; E382-D386 PolarHBondContact O-N 3.05Å; L383-D386 PolarHBondContact O-N 3.29Å; D386-F388 VanDerWaalsContact C-N 3.32Å; D386-F388 PolarHBondContact O-N 2.88Å; D386-F388 WeakPolarHBondContact OD1-CB 3.47Å; D386-F388 PolarHBondContact OD1-N 3.01Å; D386-L389 HydrophobicContact CB-CB 4.27Å; D386-L389 HydrophobicContact CB-CD1 3.86Å; D386-L389 HydrophobicContact CB-CG 4.07Å; D386-L389 PolarHBondContact O-N 2.78Å; D386-L389 PolarHBondContact OD1-N 3.47Å; D386-K390 PolarHBondContact O-N 3.33Å
387	E	94	Very high	93.5	Very high	88 Å²	88	39.9 Å²	39.9	41%	0.411	18%	0.182	S	C	.	.	H	α-helix	trans	-66.6	-32.8	-175.8	-67.5	166.5	120.8	0	0	112.3	F87 R178 N385 K390 E391	F87-E387 HydrophobicContact CD1-CB 3.77Å; F87-E387 HydrophobicContact CE1-CB 4.13Å; F87-E387 WeakPolarHBondContact CE1-OE2 3.25Å; F87-E387 HydrophobicContact CG-CB 4.37Å; R178-E387 IonicContact NH2-OE2 2.71Å; N385-E387 PolarHBondContact O-N 3.03Å; N385-E387 VanDerWaalsContact O-N 3.16Å; E387-K390 PolarHBondContact O-N 2.89Å; E387-E391 WeakPolarHBondContact O-CB 3.33Å; E387-E391 PolarHBondContact O-N 2.94Å
388	F	96.2	Very high	93.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.7	-44.3	177.7	-63.9	-93.4	0	0	0	110.3	W73 F87 M89 I166 Q169 C173 V176 D386 K390 E391 F392	W73-F388 HydrophobicContact CH2-CE1 4.11Å; F87-F388 HydrophobicContact CB-CD1 4.44Å; F87-F388 HydrophobicContact CB-CE1 4.46Å; F87-F388 HydrophobicContact CD1-CD1 4.44Å; F87-F388 HydrophobicContact CD1-CD2 4.11Å; F87-F388 HydrophobicContact CD1-CE1 4.06Å; F87-F388 AromaticContact CD1-CE2 3.69Å; F87-F388 HydrophobicContact CD1-CE2 3.69Å; F87-F388 HydrophobicContact CD1-CG 4.45Å; F87-F388 AromaticContact CD1-CZ 3.65Å; F87-F388 HydrophobicContact CD1-CZ 3.65Å; F87-F388 HydrophobicContact CE1-CE2 4.04Å; F87-F388 HydrophobicContact CE1-CZ 4.11Å; F87-F388 VanDerWaalsContact O-CD1 3.25Å; F87-F388 WeakPolarHBondContact O-CD1 3.32Å; M89-F388 VanDerWaalsContact O-CD1 3.29Å; M89-F388 WeakPolarHBondContact O-CD1 3.4Å; M89-F388 WeakPolarHBondContact O-CE1 3.4Å; I166-F388 HydrophobicContact CG2-CB 4.14Å; Q169-F388 HydrophobicContact CB-CB 4.1Å; Q169-F388 HydrophobicContact CB-CD1 3.52Å; Q169-F388 HydrophobicContact CB-CD2 3.47Å; Q169-F388 VanDerWaalsContact CB-CD2 3.47Å; Q169-F388 HydrophobicContact CB-CE1 3.7Å; Q169-F388 HydrophobicContact CB-CE2 3.66Å; Q169-F388 HydrophobicContact CB-CG 3.41Å; Q169-F388 VanDerWaalsContact CB-CG 3.41Å; Q169-F388 HydrophobicContact CB-CZ 3.79Å; Q169-F388 HydrophobicContact CG-CD1 3.83Å; Q169-F388 HydrophobicContact CG-CE1 4.12Å; Q169-F388 HydrophobicContact CG-CG 4.11Å; C173-F388 HydrophobicContact CB-CE2 4.15Å; C173-F388 HydrophobicContact CB-CZ 3.66Å; V176-F388 HydrophobicContact CG2-CE2 3.78Å; V176-F388 HydrophobicContact CG2-CZ 4.2Å; D386-F388 VanDerWaalsContact C-N 3.32Å; D386-F388 PolarHBondContact O-N 2.88Å; D386-F388 WeakPolarHBondContact OD1-CB 3.47Å; D386-F388 PolarHBondContact OD1-N 3.01Å; F388-K390 VanDerWaalsContact C-N 3.35Å; F388-K390 PolarHBondContact O-N 2.7Å; F388-E391 PolarHBondContact O-N 2.89Å; F388-F392 VanDerWaalsContact O-CD2 3.27Å; F388-F392 WeakPolarHBondContact O-CD2 3.38Å; F388-F392 PolarHBondContact O-N 2.93Å
389	L	95.5	Very high	93.3	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-50.4	176	-70.3	174.9	0	0	0	111.2	I166 L167 D386 E391 F392 G393 L394 I396	I166-L389 HydrophobicContact CG2-CD2 3.77Å; I166-L389 HydrophobicContact CG2-CG 4.4Å; L167-L389 HydrophobicContact CD2-CD1 3.97Å; L167-L389 HydrophobicContact CD2-CD2 3.84Å; L167-L389 HydrophobicContact CD2-CG 4.43Å; L167-L389 HydrophobicContact CG-CD2 4.24Å; D386-L389 HydrophobicContact CB-CB 4.27Å; D386-L389 HydrophobicContact CB-CD1 3.86Å; D386-L389 HydrophobicContact CB-CG 4.07Å; D386-L389 PolarHBondContact O-N 2.78Å; D386-L389 PolarHBondContact OD1-N 3.47Å; L389-E391 VanDerWaalsContact C-N 3.32Å; L389-E391 PolarHBondContact O-N 3.46Å; L389-F392 CarbonylContact O-C 3.55Å; L389-F392 PolarHBondContact O-N 2.73Å; L389-G393 PolarHBondContact O-N 2.98Å; L389-G393 VanDerWaalsContact O-N 3.16Å; L389-L394 CarbonylContact C-O 3.58Å; L389-L394 HydrophobicContact CB-CB 4.23Å; L389-L394 HydrophobicContact CD2-CB 3.97Å; L389-L394 HydrophobicContact CD2-CD1 4.2Å; L389-L394 CarbonylContact O-C 3.52Å; L389-L394 WeakPolarHBondContact O-CA 3.36Å; L389-L394 WeakPolarHBondContact O-CB 3.23Å; L389-L394 PolarHBondContact O-N 3.01Å; L389-L394 VanDerWaalsContact O-O 3.04Å; L389-I396 HydrophobicContact CD1-CD1 3.55Å; L389-I396 HydrophobicContact CD1-CG1 3.78Å
390	K	95	Very high	93.4	Very high	111 Å²	111	43.3 Å²	43.3	48%	0.483	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-44.7	179.4	-69.7	174.7	-176.9	172.5	0	111.7	N385 D386 E387 F388 F392 G393 L394	N385-K390 PolarHBondContact OD1-NZ 3.24Å; D386-K390 PolarHBondContact O-N 3.33Å; E387-K390 PolarHBondContact O-N 2.89Å; F388-K390 VanDerWaalsContact C-N 3.35Å; F388-K390 PolarHBondContact O-N 2.7Å; K390-F392 PolarHBondContact O-N 2.77Å; K390-G393 PolarHBondContact O-N 3.24Å; K390-L394 PolarHBondContact N-O 3.18Å
391	E	95	Very high	93.7	Very high	49 Å²	49	39.3 Å²	39.3	23%	0.229	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-43.4	178.6	-173.3	54	-119.9	0	0	111.4	N85 F87 S88 K100 E387 F388 L389 G393	N85-E391 PolarHBondContact ND2-OE2 3.45Å; F87-E391 HydrophobicContact CB-CB 4.46Å; S88-E391 VanDerWaalsContact CA-CG 3.49Å; K100-E391 WeakPolarHBondContact CD-O 3.36Å; K100-E391 WeakPolarHBondContact CE-O 3.23Å; K100-E391 PolarHBondContact NZ-O 2.76Å; K100-E391 IonicContact NZ-OE1 3.9Å; K100-E391 PolarHBondContact NZ-OE1 2.71Å; E387-E391 WeakPolarHBondContact O-CB 3.33Å; E387-E391 PolarHBondContact O-N 2.94Å; F388-E391 PolarHBondContact O-N 2.89Å; L389-E391 VanDerWaalsContact C-N 3.32Å; L389-E391 PolarHBondContact O-N 3.46Å; E391-G393 PolarHBondContact O-N 3.13Å; E391-G393 VanDerWaalsContact O-N 3.13Å
392	F	95.2	Very high	93.9	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.013	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	3.4	174.3	-79.3	-93.5	0	0	0	114.1	I47 V49 S88 A90 K100 I166 F388 L389 K390 L394	I47-F392 WeakPolarHBondContact CD1-O 3.32Å; V49-F392 HydrophobicContact CB-CE1 4.43Å; V49-F392 HydrophobicContact CG1-CD1 3.76Å; V49-F392 HydrophobicContact CG1-CE1 3.57Å; S88-F392 WeakPolarHBondContact O-CE2 3.35Å; S88-F392 WeakPolarHBondContact O-CZ 3.3Å; A90-F392 HydrophobicContact CB-CZ 4.46Å; K100-F392 HydrophobicContact CB-CD1 4.22Å; K100-F392 HydrophobicContact CB-CE1 4.07Å; I166-F392 HydrophobicContact CD1-CB 3.97Å; I166-F392 HydrophobicContact CD1-CD1 3.51Å; I166-F392 HydrophobicContact CD1-CD2 4.08Å; I166-F392 HydrophobicContact CD1-CE1 3.94Å; I166-F392 HydrophobicContact CD1-CE2 4.44Å; I166-F392 HydrophobicContact CD1-CG 3.58Å; I166-F392 HydrophobicContact CD1-CZ 4.36Å; I166-F392 HydrophobicContact CG1-CD1 4.18Å; I166-F392 HydrophobicContact CG1-CD2 4.01Å; I166-F392 HydrophobicContact CG1-CE1 4.25Å; I166-F392 HydrophobicContact CG1-CE2 4.07Å; I166-F392 HydrophobicContact CG1-CG 4.05Å; I166-F392 HydrophobicContact CG1-CZ 4.18Å; I166-F392 HydrophobicContact CG2-CB 4.38Å; I166-F392 HydrophobicContact CG2-CD2 3.96Å; I166-F392 HydrophobicContact CG2-CG 4.28Å; F388-F392 VanDerWaalsContact O-CD2 3.27Å; F388-F392 WeakPolarHBondContact O-CD2 3.38Å; F388-F392 PolarHBondContact O-N 2.93Å; L389-F392 CarbonylContact O-C 3.55Å; L389-F392 PolarHBondContact O-N 2.73Å; K390-F392 PolarHBondContact O-N 2.77Å; F392-L394 VanDerWaalsContact C-N 3.35Å; F392-L394 HydrophobicContact CB-CD1 4.3Å; F392-L394 HydrophobicContact CB-CG 4.36Å
393	G	94.3	Very high	94	Very high	10 Å²	10	40.3 Å²	40.3	10%	0.103	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	25.2	179.9	0	0	0	0	0	113.6	V42 L389 K390 E391	V42-G393 PolarHBondContact N-O 3.05Å; L389-G393 PolarHBondContact O-N 2.98Å; L389-G393 VanDerWaalsContact O-N 3.16Å; K390-G393 PolarHBondContact O-N 3.24Å; E391-G393 PolarHBondContact O-N 3.13Å; E391-G393 VanDerWaalsContact O-N 3.13Å
394	L	94.8	Very high	94.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	156.5	-178.5	-60.2	176.7	0	0	0	111.4	L39 K40 I47 F142 V163 I166 L389 K390 F392	L39-L394 HydrophobicContact CD2-CD2 4.38Å; K40-L394 CarbonylContact O-C 3.48Å; K40-L394 WeakPolarHBondContact O-CA 3.4Å; I47-L394 HydrophobicContact CD1-CD2 3.64Å; I47-L394 HydrophobicContact CD1-CG 4.28Å; F142-L394 HydrophobicContact CE2-CD2 3.93Å; F142-L394 HydrophobicContact CZ-CD2 3.51Å; V163-L394 HydrophobicContact CG2-CD1 4.48Å; I166-L394 HydrophobicContact CD1-CD1 4.06Å; L389-L394 CarbonylContact C-O 3.58Å; L389-L394 HydrophobicContact CB-CB 4.23Å; L389-L394 HydrophobicContact CD2-CB 3.97Å; L389-L394 HydrophobicContact CD2-CD1 4.2Å; L389-L394 CarbonylContact O-C 3.52Å; L389-L394 WeakPolarHBondContact O-CA 3.36Å; L389-L394 WeakPolarHBondContact O-CB 3.23Å; L389-L394 PolarHBondContact O-N 3.01Å; L389-L394 VanDerWaalsContact O-O 3.04Å; K390-L394 PolarHBondContact N-O 3.18Å; F392-L394 VanDerWaalsContact C-N 3.35Å; F392-L394 HydrophobicContact CB-CD1 4.3Å; F392-L394 HydrophobicContact CB-CG 4.36Å
395	D	93.9	Very high	94.7	Very high	30 Å²	30	38.7 Å²	38.7	16%	0.16	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	166	174.6	-172.8	20.2	0	0	0	110	L39 K40 V42 R398	L39-D395 CarbonylContact C-O 3.5Å; K40-D395 HydrophobicContact CB-CB 4.25Å; K40-D395 PolarHBondContact N-O 2.96Å; K40-D395 PolarHBondContact O-N 3.05Å; V42-D395 HydrophobicContact CG2-CB 3.42Å; V42-D395 VanDerWaalsContact CG2-CB 3.42Å; D395-R398 VanDerWaalsContact CG-NH2 3.34Å; D395-R398 IonicContact OD1-CZ 2.8Å; D395-R398 VanDerWaalsContact OD1-CZ 3.26Å; D395-R398 IonicContact OD1-NH1 3.47Å; D395-R398 PolarHBondContact OD1-NH1 3.48Å; D395-R398 VanDerWaalsContact OD1-NH1 3.12Å; D395-R398 IonicContact OD1-NH2 3.26Å; D395-R398 PolarHBondContact OD1-NH2 2.96Å; D395-R398 IonicContact OD2-CZ 2.7Å; D395-R398 IonicContact OD2-NH1 3.26Å; D395-R398 PolarHBondContact OD2-NH1 2.97Å; D395-R398 IonicContact OD2-NH2 3.38Å; D395-R398 PolarHBondContact OD2-NH2 3.03Å
396	I	94	Very high	95	Very high	5 Å²	5	36 Å²	36	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.7	-179.1	-55.5	171.1	0	0	0	109.8	L37 L39 L167 V224 L383 L389 R398	L37-I396 HydrophobicContact CB-CG2 3.58Å; L37-I396 HydrophobicContact CD1-CG2 3.45Å; L37-I396 VanDerWaalsContact CD1-CG2 3.45Å; L37-I396 HydrophobicContact CG-CG2 4.14Å; L39-I396 HydrophobicContact CD1-CG1 4.27Å; L167-I396 HydrophobicContact CD2-CD1 3.58Å; L167-I396 HydrophobicContact CD2-CG1 4.41Å; V224-I396 HydrophobicContact CG2-CG1 4.46Å; L383-I396 HydrophobicContact CD2-CD1 4.48Å; L389-I396 HydrophobicContact CD1-CD1 3.55Å; L389-I396 HydrophobicContact CD1-CG1 3.78Å; I396-R398 PolarHBondContact O-NH1 3.01Å
397	A	94.2	Very high	95.2	Very high	8 Å²	8	36.9 Å²	36.9	7%	0.066	18%	0.184	C	C	.	.			trans	-58	148.9	171.6	0	0	0	0	0	112.2	L37 E38	L37-A397 HydrophobicContact CB-CB 4.46Å; E38-A397 HydrophobicContact CB-CB 4.05Å; E38-A397 PolarHBondContact O-N 2.84Å
398	R	90.7	Very high	95.3	Very high	122 Å²	122	35.7 Å²	35.7	46%	0.46	18%	0.18	S	C	.	.	S	Bend	trans	-94.2	-5.8	179.9	-73.8	75	-174.8	168.9	-0.4	112.3	E384 D395 I396	E384-R398 PolarHBondContact O-NH2 3.24Å; E384-R398 VanDerWaalsContact O-NH2 3.16Å; D395-R398 VanDerWaalsContact CG-NH2 3.34Å; D395-R398 IonicContact OD1-CZ 2.8Å; D395-R398 VanDerWaalsContact OD1-CZ 3.26Å; D395-R398 IonicContact OD1-NH1 3.47Å; D395-R398 PolarHBondContact OD1-NH1 3.48Å; D395-R398 VanDerWaalsContact OD1-NH1 3.12Å; D395-R398 IonicContact OD1-NH2 3.26Å; D395-R398 PolarHBondContact OD1-NH2 2.96Å; D395-R398 IonicContact OD2-CZ 2.7Å; D395-R398 IonicContact OD2-NH1 3.26Å; D395-R398 PolarHBondContact OD2-NH1 2.97Å; D395-R398 IonicContact OD2-NH2 3.38Å; D395-R398 PolarHBondContact OD2-NH2 3.03Å; I396-R398 PolarHBondContact O-NH1 3.01Å
399	T	94.5	Very high	95.2	Very high	108 Å²	108	40.6 Å²	40.6	66%	0.663	21%	0.212	S	C	*	.	S	Bend	trans	-122.4	138.5	-179.3	52.7	0	0	0	0	109.3	L37	L37-T399 VanDerWaalsContact CD2-C 3.49Å; L37-T399 VanDerWaalsContact CD2-O 3.27Å; L37-T399 WeakPolarHBondContact CD2-O 3.19Å
400	Y	96.7	Very high	95.1	Very high	31 Å²	31	43.6 Å²	43.6	12%	0.122	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.9	148.9	175.1	-64.9	-73	0	0	0	112.6	V33 S34 F36 L37 L371 C374 T375 M378 E402	V33-Y400 HydrophobicContact CG1-CG 4.46Å; S34-Y400 VanDerWaalsContact O-CB 3.25Å; S34-Y400 WeakPolarHBondContact O-CB 3.25Å; F36-Y400 CarbonylContact O-C 3.59Å; F36-Y400 WeakPolarHBondContact O-CA 3.29Å; L37-Y400 HydrophobicContact CD2-CD1 3.67Å; L37-Y400 HydrophobicContact CD2-CE1 4.08Å; L37-Y400 HydrophobicContact CD2-CG 4.16Å; L37-Y400 HydrophobicContact CG-CD1 4.19Å; L37-Y400 HydrophobicContact CG-CE1 4.38Å; L371-Y400 HydrophobicContact CD1-CD1 3.91Å; L371-Y400 HydrophobicContact CD1-CD2 3.88Å; L371-Y400 HydrophobicContact CD1-CE1 3.63Å; L371-Y400 HydrophobicContact CD1-CE2 3.6Å; L371-Y400 HydrophobicContact CD1-CG 4.01Å; L371-Y400 VanDerWaalsContact CD1-CZ 3.45Å; L371-Y400 HydrophobicContact CD2-CD2 3.58Å; L371-Y400 HydrophobicContact CD2-CE2 3.77Å; L371-Y400 HydrophobicContact CD2-CG 4.15Å; L371-Y400 HydrophobicContact CG-CD2 3.82Å; L371-Y400 HydrophobicContact CG-CE1 4.44Å; L371-Y400 HydrophobicContact CG-CE2 3.47Å; L371-Y400 VanDerWaalsContact CG-CE2 3.47Å; L371-Y400 HydrophobicContact CG-CG 4.42Å; L371-Y400 PolarHBondContact O-OH 3.09Å; C374-Y400 WeakPolarHBondContact CB-OH 3.25Å; T375-Y400 PolarHBondContact N-OH 3.17Å; T375-Y400 VanDerWaalsContact OG1-CE2 3.31Å; T375-Y400 WeakPolarHBondContact OG1-CE2 3.32Å; T375-Y400 PolarHBondContact OG1-OH 3.22Å; M378-Y400 HydrophobicContact CE-CE1 4.11Å; M378-Y400 WeakPolarHBondContact CE-OH 3.35Å; Y400-E402 PolarHBondContact O-N 3.04Å
401	V	97	Very high	95.1	Very high	12 Å²	12	41.8 Å²	41.8	7%	0.073	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-68.7	118.9	177.9	178.2	0	0	0	0	109.1	S34 F36 E38 L223 V403 R742 V743	S34-V401 WeakPolarHBondContact CB-O 3.47Å; S34-V401 PolarHBondContact N-O 2.59Å; S34-V401 PolarHBondContact OG-O 3.27Å; F36-V401 HydrophobicContact CB-CB 4.34Å; F36-V401 HydrophobicContact CB-CG2 4.22Å; F36-V401 PolarHBondContact O-N 3.36Å; E38-V401 HydrophobicContact CG-CG2 3.96Å; L223-V401 HydrophobicContact CD2-CG2 4.01Å; V401-V403 HydrophobicContact CG1-CG2 4.05Å; V401-R742 HydrophobicContact CG1-CB 4.36Å; V401-V743 HydrophobicContact CB-CG1 4.34Å; V401-V743 HydrophobicContact CG1-CG1 3.9Å
402	E	97	Very high	95.1	Very high	92 Å²	92	43.4 Å²	43.4	43%	0.43	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	137.3	167.6	-60.4	-167.8	176.5	0	0	110.5	L32 Y400 K721	L32-E402 WeakPolarHBondContact O-CA 3.31Å; Y400-E402 PolarHBondContact O-N 3.04Å; E402-K721 WeakPolarHBondContact OE1-CE 3.27Å; E402-K721 IonicContact OE1-NZ 3.72Å; E402-K721 PolarHBondContact OE1-NZ 3.07Å; E402-K721 IonicContact OE2-NZ 2.75Å; E402-K721 PolarHBondContact OE2-NZ 3.01Å
403	V	95.9	Very high	95.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.7	-171.4	-172.1	0	0	0	0	109.9	L32 V401 I739 H741 R742 V743	L32-V403 PolarHBondContact N-O 3.38Å; L32-V403 PolarHBondContact O-N 3.17Å; V401-V403 HydrophobicContact CG1-CG2 4.05Å; V403-I739 HydrophobicContact CG1-CG2 3.39Å; V403-H741 WeakPolarHBondContact CG1-O 3.47Å; V403-R742 HydrophobicContact CG1-CB 4.27Å; V403-R742 HydrophobicContact CG1-CG 4.46Å; V403-R742 HydrophobicContact CG2-CB 4.27Å; V403-V743 HydrophobicContact CG1-CG2 4.34Å; V403-V743 HydrophobicContact CG2-CG1 3.79Å; V403-V743 HydrophobicContact CG2-CG2 4.03Å
404	P	96	Very high	95.1	Very high	50 Å²	50	45.6 Å²	45.6	33%	0.325	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.1	168.1	31.8	-32.1	0	0	0	109.7	H741	P404-H741 HydrophobicContact CG-CB 3.86Å
405	G	95.9	Very high	95.2	Very high	5 Å²	5	45.7 Å²	45.7	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	179.4	172.8	0	0	0	0	0	111.2	K29 I30 V738	K29-G405 WeakPolarHBondContact CA-O 3.25Å; I30-G405 PolarHBondContact N-O 3.17Å; I30-G405 CarbonylContact O-C 3.53Å; I30-G405 PolarHBondContact O-N 3.17Å; I30-G405 VanDerWaalsContact O-O 3.09Å; G405-V738 CarbonylContact C-O 3.58Å; G405-V738 WeakPolarHBondContact CA-O 3.47Å
406	R	96.5	Very high	95.3	Very high	26 Å²	26	48.4 Å²	48.4	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.5	176	-66	168.5	-66.9	122.4	-2.8	110	G24 K26 E28 T737 V738 D740	G24-R406 PolarHBondContact O-NE 3.09Å; G24-R406 PolarHBondContact O-NH1 2.69Å; G24-R406 PolarHBondContact O-NH2 3.28Å; K26-R406 WeakPolarHBondContact O-CD 3.29Å; K26-R406 PolarHBondContact O-NH1 2.92Å; E28-R406 CarbonylContact O-C 3.56Å; E28-R406 VanDerWaalsContact O-CA 3.26Å; E28-R406 WeakPolarHBondContact O-CA 3.28Å; R406-T737 CarbonylContact O-C 3.51Å; R406-T737 VanDerWaalsContact O-CA 3.26Å; R406-T737 WeakPolarHBondContact O-CA 3.37Å; R406-V738 PolarHBondContact N-O 3.12Å; R406-V738 PolarHBondContact O-N 2.89Å; R406-D740 IonicContact CZ-OD2 3.89Å; R406-D740 IonicContact NE-OD1 3.3Å; R406-D740 VanDerWaalsContact NH2-CG 3.28Å; R406-D740 IonicContact NH2-OD1 3.38Å; R406-D740 PolarHBondContact NH2-OD1 3.3Å; R406-D740 IonicContact NH2-OD2 3.01Å; R406-D740 PolarHBondContact NH2-OD2 3.49Å
407	V	96.6	Very high	95.3	Very high	22 Å²	22	55.3 Å²	55.3	13%	0.133	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.7	172.4	-174.2	0	0	0	0	108	G27 E28 I30 P734	G27-V407 CarbonylContact C-O 3.55Å; G27-V407 WeakPolarHBondContact CA-O 3.42Å; E28-V407 PolarHBondContact N-O 3.47Å; E28-V407 PolarHBondContact O-N 3.31Å; I30-V407 HydrophobicContact CB-CG2 4.26Å; I30-V407 HydrophobicContact CD1-CG2 4.2Å; I30-V407 HydrophobicContact CG2-CG2 4.01Å; V407-P734 HydrophobicContact CG1-CB 3.96Å; V407-P734 HydrophobicContact CG2-CB 4.06Å; V407-P734 HydrophobicContact CG2-CG 4.11Å
408	L	95.7	Very high	95	Very high	63 Å²	63	57 Å²	57	33%	0.33	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-70	142.4	175.2	-64.5	-177.1	0	0	0	110.4	K26 G736 V738	K26-L408 HydrophobicContact CB-CD2 4.1Å; K26-L408 WeakPolarHBondContact O-CD2 3.4Å; L408-G736 PolarHBondContact N-O 2.84Å; L408-V738 HydrophobicContact CD1-CG2 3.61Å; L408-V738 HydrophobicContact CG-CG2 3.82Å
409	P	94.4	Very high	94.8	Very high	102 Å²	102	57.1 Å²	57.1	66%	0.662	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-61.8	137.3	172.6	27.1	-33.7	0	0	0	109.7
410	P	94.7	Very high	94.7	Very high	66 Å²	66	61.5 Å²	61.5	43%	0.429	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-67.4	145.8	178.5	27.4	-32.7	0	0	0	110.6	K412 P426	P410-K412 PolarHBondContact O-N 3.04Å; P410-P426 HydrophobicContact CB-CB 4.04Å; P410-P426 HydrophobicContact CB-CG 4.32Å; P410-P426 WeakPolarHBondContact CG-O 3.39Å
411	P	93.4	Very high	94.4	Very high	73 Å²	73	63.2 Å²	63.2	47%	0.474	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65.5	136.9	173.7	28.1	-33.7	0	0	0	110.1	P426 L579	P411-P426 WeakPolarHBondContact O-CD 3.36Å; P411-P426 VanDerWaalsContact O-CG 3.32Å; P411-P426 WeakPolarHBondContact O-CG 3.27Å; P411-L579 HydrophobicContact CB-CD2 3.95Å; P411-L579 HydrophobicContact CG-CD2 4.34Å
412	K	95.3	Very high	94.3	Very high	82 Å²	82	63.3 Å²	63.3	36%	0.357	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-77.1	143.2	176.6	-53.4	-168.3	-173.3	-162.5	0	110	P410 V423 E425 L580	P410-K412 PolarHBondContact O-N 3.04Å; K412-V423 HydrophobicContact CB-CG1 3.82Å; K412-V423 HydrophobicContact CD-CG1 4.12Å; K412-E425 HydrophobicContact CD-CG 4.05Å; K412-E425 WeakPolarHBondContact CD-OE1 3.25Å; K412-E425 WeakPolarHBondContact CE-OE1 3.48Å; K412-E425 HydrophobicContact CG-CG 4.07Å; K412-E425 IonicContact NZ-OE1 3.75Å; K412-E425 PolarHBondContact NZ-OE1 3.16Å; K412-L580 HydrophobicContact CB-CB 3.9Å; K412-L580 HydrophobicContact CB-CD2 3.81Å; K412-L580 HydrophobicContact CD-CD2 3.93Å; K412-L580 HydrophobicContact CG-CD2 4.38Å; K412-L580 WeakPolarHBondContact O-CB 3.21Å; K412-L580 PolarHBondContact O-N 3.39Å
413	L	95.6	Very high	94.2	Very high	13 Å²	13	62.6 Å²	62.6	7%	0.068	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.4	-176	-59.1	-177.5	0	0	0	110.6	Y415 V423 V424 P426 W431 R578 L579	L413-Y415 HydrophobicContact CB-CD2 4.34Å; L413-Y415 HydrophobicContact CB-CE2 3.8Å; L413-Y415 HydrophobicContact CD1-CE2 4.31Å; L413-V423 CarbonylContact O-C 3.51Å; L413-V423 VanDerWaalsContact O-CA 3.31Å; L413-V423 WeakPolarHBondContact O-CA 3.27Å; L413-V424 PolarHBondContact N-O 3.18Å; L413-V424 PolarHBondContact O-N 3.01Å; L413-P426 HydrophobicContact CD1-CG 3.94Å; L413-P426 HydrophobicContact CG-CG 3.97Å; L413-W431 HydrophobicContact CD1-CB 4.31Å; L413-W431 HydrophobicContact CD1-CD2 3.64Å; L413-W431 HydrophobicContact CD1-CE3 4.33Å; L413-W431 HydrophobicContact CD1-CG 3.6Å; L413-W431 HydrophobicContact CD1-CZ2 4.4Å; L413-R578 CarbonylContact C-O 3.56Å; L413-R578 WeakPolarHBondContact CA-O 3.46Å; L413-L579 HydrophobicContact CD2-CD2 4.05Å
414	E	95.3	Very high	94.2	Very high	46 Å²	46	63.8 Å²	63.8	22%	0.215	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.2	175.7	-165	173	-148	0	0	110.7	S421 F439 T577 R578	E414-S421 VanDerWaalsContact CD-OG 3.27Å; E414-S421 WeakPolarHBondContact CG-OG 3.45Å; E414-S421 WeakPolarHBondContact OE1-CB 3.36Å; E414-S421 PolarHBondContact OE1-OG 3.38Å; E414-F439 HydrophobicContact CB-CD2 4.47Å; E414-F439 HydrophobicContact CG-CD2 4.16Å; E414-F439 HydrophobicContact CG-CE2 4.1Å; E414-T577 WeakPolarHBondContact O-CA 3.32Å; E414-T577 PolarHBondContact O-OG1 2.59Å; E414-R578 HydrophobicContact CB-CB 4.48Å; E414-R578 PolarHBondContact N-O 3.32Å; E414-R578 PolarHBondContact O-N 2.84Å; E414-R578 VanDerWaalsContact O-N 3.13Å
415	Y	96.5	Very high	94	Very high	3 Å²	3	67 Å²	67	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	171.5	175.7	-73.2	-91.5	0	0	0	110	L413 A422 V424 W431 M433 V436 Q437 N576 T577	L413-Y415 HydrophobicContact CB-CD2 4.34Å; L413-Y415 HydrophobicContact CB-CE2 3.8Å; L413-Y415 HydrophobicContact CD1-CE2 4.31Å; Y415-A422 PolarHBondContact N-O 2.74Å; Y415-A422 PolarHBondContact O-N 2.79Å; Y415-V424 HydrophobicContact CD2-CB 4.01Å; Y415-V424 HydrophobicContact CD2-CG2 3.64Å; Y415-V424 HydrophobicContact CE2-CB 4Å; Y415-V424 HydrophobicContact CE2-CG2 3.98Å; Y415-W431 PolarHBondContact OH-NE1 3.17Å; Y415-M433 HydrophobicContact CD1-CG 4.41Å; Y415-M433 HydrophobicContact CE1-CG 3.71Å; Y415-M433 HydrophobicContact CE1-SD 4.09Å; Y415-V436 HydrophobicContact CD1-CB 4.47Å; Y415-V436 HydrophobicContact CD1-CG2 3.96Å; Y415-V436 HydrophobicContact CG-CB 4.21Å; Y415-V436 HydrophobicContact CG-CG2 3.96Å; Y415-Q437 WeakPolarHBondContact CD1-O 3.2Å; Y415-N576 WeakPolarHBondContact CD1-O 3.39Å; Y415-N576 WeakPolarHBondContact CE1-O 3.28Å; Y415-T577 VanDerWaalsContact CE2-OG1 3.28Å; Y415-T577 WeakPolarHBondContact CE2-OG1 3.5Å; Y415-T577 VanDerWaalsContact CZ-CB 3.44Å; Y415-T577 WeakPolarHBondContact OH-CB 3.31Å
416	K	95.9	Very high	94	Very high	86 Å²	86	67.5 Å²	67.5	37%	0.374	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	145.3	171.3	-175.5	175.8	177.2	178.7	0	110.7	G418 V436 Q437 F438	K416-G418 WeakPolarHBondContact CE-O 3.36Å; K416-G418 VanDerWaalsContact CG-O 3.32Å; K416-G418 WeakPolarHBondContact CG-O 3.47Å; K416-V436 CarbonylContact O-C 3.6Å; K416-V436 WeakPolarHBondContact O-CA 3.46Å; K416-Q437 HydrophobicContact CB-CB 4.19Å; K416-Q437 PolarHBondContact N-O 3.45Å; K416-Q437 PolarHBondContact O-N 2.97Å; K416-F438 VanDerWaalsContact CB-O 3.27Å; K416-F438 WeakPolarHBondContact CB-O 3.33Å
417	R	92.7	Very high	93.7	Very high	150 Å²	150	69.7 Å²	69.7	57%	0.566	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	94.7	168.4	-171.6	174.8	-161.3	-170.4	3	109.4	S419 R420 A422 D435	R417-S419 PolarHBondContact O-N 3.37Å; R417-R420 PolarHBondContact N-O 3.19Å; R417-R420 PolarHBondContact O-N 3.25Å; R417-R420 VanDerWaalsContact O-N 3.09Å; R417-A422 HydrophobicContact CB-CB 3.78Å; R417-D435 WeakPolarHBondContact CD-O 3.32Å; R417-D435 WeakPolarHBondContact CG-O 3.31Å; R417-D435 PolarHBondContact NE-O 2.9Å
418	G	88.8	Confident	93.4	Very high	43 Å²	43	72.8 Å²	72.8	44%	0.443	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-123.9	-170.6	0	0	0	0	0	110.4	K416	K416-G418 WeakPolarHBondContact CE-O 3.36Å; K416-G418 VanDerWaalsContact CG-O 3.32Å; K416-G418 WeakPolarHBondContact CG-O 3.47Å
419	S	87.4	Confident	93.1	Very high	125 Å²	125	71.9 Å²	71.9	87%	0.874	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.7	175.9	56.1	0	0	0	0	114.4	R417	R417-S419 PolarHBondContact O-N 3.37Å
420	R	91.5	Very high	92.9	Very high	200 Å²	200	71.2 Å²	71.2	76%	0.755	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	159.2	-175.7	-61.9	-176.9	-177.8	175.6	0.7	111.7	R417	R417-R420 PolarHBondContact N-O 3.19Å; R417-R420 PolarHBondContact O-N 3.25Å; R417-R420 VanDerWaalsContact O-N 3.09Å
421	S	91	Very high	92.8	Very high	67 Å²	67	74.2 Å²	74.2	47%	0.469	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	147	165.2	175.4	0	0	0	0	110.5	E414	E414-S421 VanDerWaalsContact CD-OG 3.27Å; E414-S421 WeakPolarHBondContact CG-OG 3.45Å; E414-S421 WeakPolarHBondContact OE1-CB 3.36Å; E414-S421 PolarHBondContact OE1-OG 3.38Å
422	A	94.7	Very high	92.4	Very high	15 Å²	15	76.2 Å²	76.2	12%	0.124	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.3	173.1	0	0	0	0	0	109.9	Y415 R417 V436	Y415-A422 PolarHBondContact N-O 2.74Å; Y415-A422 PolarHBondContact O-N 2.79Å; R417-A422 HydrophobicContact CB-CB 3.78Å; A422-V436 HydrophobicContact CB-CG1 3.82Å
423	V	94.6	Very high	92	Very high	76 Å²	76	73.8 Å²	73.8	46%	0.461	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.7	179.1	-177	0	0	0	0	109.4	K412 L413 L580	K412-V423 HydrophobicContact CB-CG1 3.82Å; K412-V423 HydrophobicContact CD-CG1 4.12Å; L413-V423 CarbonylContact O-C 3.51Å; L413-V423 VanDerWaalsContact O-CA 3.31Å; L413-V423 WeakPolarHBondContact O-CA 3.27Å; V423-L580 HydrophobicContact CG1-CD2 4.26Å; V423-L580 HydrophobicContact CG2-CD1 4.01Å
424	V	94.8	Very high	91.5	Very high	26 Å²	26	81.3 Å²	81.3	16%	0.158	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.1	174.4	176.8	0	0	0	0	108.1	L413 Y415 P426 W431 V436	L413-V424 PolarHBondContact N-O 3.18Å; L413-V424 PolarHBondContact O-N 3.01Å; Y415-V424 HydrophobicContact CD2-CB 4.01Å; Y415-V424 HydrophobicContact CD2-CG2 3.64Å; Y415-V424 HydrophobicContact CE2-CB 4Å; Y415-V424 HydrophobicContact CE2-CG2 3.98Å; V424-P426 WeakPolarHBondContact O-CD 3.29Å; V424-W431 HydrophobicContact CG1-CB 4.04Å; V424-V436 HydrophobicContact CG2-CG1 4.36Å
425	E	93.5	Very high	91.2	Very high	119 Å²	119	85.2 Å²	85.2	56%	0.556	45%	0.446	S	S	*	.			trans	-93.4	117.8	173.2	-59.5	-167.7	177.1	0	0	109.1	K412	K412-E425 HydrophobicContact CD-CG 4.05Å; K412-E425 WeakPolarHBondContact CD-OE1 3.25Å; K412-E425 WeakPolarHBondContact CE-OE1 3.48Å; K412-E425 HydrophobicContact CG-CG 4.07Å; K412-E425 IonicContact NZ-OE1 3.75Å; K412-E425 PolarHBondContact NZ-OE1 3.16Å
426	P	94.6	Very high	91.2	Very high	14 Å²	14	85.8 Å²	85.8	9%	0.091	45%	0.449	C	S	.	.			trans	-59.2	144.2	173.3	-23.1	34.1	0	0	0	110.9	P410 P411 L413 V424 T430 W431	P410-P426 HydrophobicContact CB-CB 4.04Å; P410-P426 HydrophobicContact CB-CG 4.32Å; P410-P426 WeakPolarHBondContact CG-O 3.39Å; P411-P426 WeakPolarHBondContact O-CD 3.36Å; P411-P426 VanDerWaalsContact O-CG 3.32Å; P411-P426 WeakPolarHBondContact O-CG 3.27Å; L413-P426 HydrophobicContact CD1-CG 3.94Å; L413-P426 HydrophobicContact CG-CG 3.97Å; V424-P426 WeakPolarHBondContact O-CD 3.29Å; P426-T430 WeakPolarHBondContact CA-O 3.2Å; P426-W431 HydrophobicContact CB-CB 4.44Å; P426-W431 HydrophobicContact CB-CE3 4.26Å; P426-W431 HydrophobicContact CG-CE3 4.41Å
427	S	91.3	Very high	91.2	Very high	72 Å²	72	84 Å²	84	50%	0.503	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-125.4	127.4	173.1	-176.5	0	0	0	0	108.9	G429 T430	S427-G429 PolarHBondContact O-N 3.24Å; S427-G429 VanDerWaalsContact O-N 3.16Å; S427-T430 PolarHBondContact N-O 3.21Å; S427-T430 PolarHBondContact O-N 3.18Å; S427-T430 VanDerWaalsContact O-O 3.08Å; S427-T430 PolarHBondContact O-OG1 2.97Å
428	N	89.5	Confident	91.4	Very high	87 Å²	87	77 Å²	77	47%	0.465	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	38.5	178	-66.5	-40.6	0	0	0	113.8	T430 V727	N428-T430 PolarHBondContact O-N 3.16Å; N428-V727 HydrophobicContact CB-CG1 3.74Å; N428-V727 VanDerWaalsContact CG-CG1 3.44Å; N428-V727 WeakPolarHBondContact OD1-CG2 2.95Å
429	G	89.6	Confident	91.8	Very high	44 Å²	44	77.4 Å²	77.4	45%	0.454	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	12.1	179.1	0	0	0	0	0	114	S427	S427-G429 PolarHBondContact O-N 3.24Å; S427-G429 VanDerWaalsContact O-N 3.16Å
430	T	91.3	Very high	92.2	Very high	88 Å²	88	75.7 Å²	75.7	54%	0.54	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-127	147	179.8	68.5	0	0	0	0	111.1	P426 S427 N428	P426-T430 WeakPolarHBondContact CA-O 3.2Å; S427-T430 PolarHBondContact N-O 3.21Å; S427-T430 PolarHBondContact O-N 3.18Å; S427-T430 VanDerWaalsContact O-O 3.08Å; S427-T430 PolarHBondContact O-OG1 2.97Å; N428-T430 PolarHBondContact O-N 3.16Å
431	W	91.2	Very high	92.5	Very high	129 Å²	129	67.3 Å²	67.3	49%	0.489	36%	0.36	S	S	.	.			trans	-144.7	150.7	170	62.1	97.2	0	0	0	108.3	L413 Y415 V424 P426	L413-W431 HydrophobicContact CD1-CB 4.31Å; L413-W431 HydrophobicContact CD1-CD2 3.64Å; L413-W431 HydrophobicContact CD1-CE3 4.33Å; L413-W431 HydrophobicContact CD1-CG 3.6Å; L413-W431 HydrophobicContact CD1-CZ2 4.4Å; Y415-W431 PolarHBondContact OH-NE1 3.17Å; V424-W431 HydrophobicContact CG1-CB 4.04Å; P426-W431 HydrophobicContact CB-CB 4.44Å; P426-W431 HydrophobicContact CB-CE3 4.26Å; P426-W431 HydrophobicContact CG-CE3 4.41Å
432	Q	86.2	Confident	92.8	Very high	115 Å²	115	64.3 Å²	64.3	54%	0.537	34%	0.34	S	S	.	.			trans	-124.2	143.7	-179.1	-64.7	-175.7	0.2	0	0	109.4	R434	Q432-R434 HydrophobicContact CB-CG 4.2Å; Q432-R434 PolarHBondContact O-N 3.45Å; Q432-R434 VanDerWaalsContact OE1-CZ 3.24Å
433	M	85.6	Confident	92.9	Very high	31 Å²	31	67.9 Å²	67.9	15%	0.153	36%	0.357	C	S	.	.			trans	-81.7	68.9	172.1	-70.5	-177.1	49.2	0	0	110.9	Y415 V436 F438 L475 L566	Y415-M433 HydrophobicContact CD1-CG 4.41Å; Y415-M433 HydrophobicContact CE1-CG 3.71Å; Y415-M433 HydrophobicContact CE1-SD 4.09Å; M433-V436 HydrophobicContact CB-CG2 3.96Å; M433-V436 HydrophobicContact CG-CG2 4.24Å; M433-F438 HydrophobicContact CE-CD1 3.57Å; M433-F438 HydrophobicContact CE-CE1 3.51Å; M433-F438 HydrophobicContact CE-CZ 4.43Å; M433-F438 HydrophobicContact SD-CD1 3.93Å; M433-F438 HydrophobicContact SD-CE1 3.67Å; M433-L475 HydrophobicContact CE-CB 4.47Å; M433-L475 HydrophobicContact CE-CD1 3.97Å; M433-L475 HydrophobicContact CE-CD2 3.58Å; M433-L475 HydrophobicContact CE-CG 4.21Å; M433-L566 HydrophobicContact SD-CD2 3.58Å; M433-L566 VanDerWaalsContact SD-CD2 3.58Å; M433-L566 HydrophobicContact SD-CG 4.15Å
434	R	85.4	Confident	93.1	Very high	172 Å²	172	64.3 Å²	64.3	65%	0.649	34%	0.335	S	S	*	.	S	Bend	trans	-92.2	130	170.6	-64	-173.2	-171.1	-173.3	2.7	109.2	Q432 V436	Q432-R434 HydrophobicContact CB-CG 4.2Å; Q432-R434 PolarHBondContact O-N 3.45Å; Q432-R434 VanDerWaalsContact OE1-CZ 3.24Å; R434-V436 PolarHBondContact O-N 3.38Å
435	D	89.2	Confident	93.2	Very high	128 Å²	128	67.5 Å²	67.5	68%	0.684	35%	0.351	S	S	*	.	S	Bend	trans	55.4	23.3	175.1	-50.2	-46.8	0	0	0	115.1	R417	R417-D435 WeakPolarHBondContact CD-O 3.32Å; R417-D435 WeakPolarHBondContact CG-O 3.31Å; R417-D435 PolarHBondContact NE-O 2.9Å
436	V	95.7	Very high	93.4	Very high	15 Å²	15	63.5 Å²	63.5	9%	0.091	33%	0.333	C	S	.	.			trans	-131.6	156.9	177.4	-62.4	0	0	0	0	110.4	Y415 K416 A422 V424 M433 R434	Y415-V436 HydrophobicContact CD1-CB 4.47Å; Y415-V436 HydrophobicContact CD1-CG2 3.96Å; Y415-V436 HydrophobicContact CG-CB 4.21Å; Y415-V436 HydrophobicContact CG-CG2 3.96Å; K416-V436 CarbonylContact O-C 3.6Å; K416-V436 WeakPolarHBondContact O-CA 3.46Å; A422-V436 HydrophobicContact CB-CG1 3.82Å; V424-V436 HydrophobicContact CG2-CG1 4.36Å; M433-V436 HydrophobicContact CB-CG2 3.96Å; M433-V436 HydrophobicContact CG-CG2 4.24Å; R434-V436 PolarHBondContact O-N 3.38Å
437	Q	97.1	Very high	93.6	Very high	49 Å²	49	62.9 Å²	62.9	23%	0.229	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-112.8	165.4	177.6	-65.8	-178.6	-60.9	0	0	109.5	Y415 K416 F439 D474 L475	Y415-Q437 WeakPolarHBondContact CD1-O 3.2Å; K416-Q437 HydrophobicContact CB-CB 4.19Å; K416-Q437 PolarHBondContact N-O 3.45Å; K416-Q437 PolarHBondContact O-N 2.97Å; Q437-F439 PolarHBondContact O-N 2.82Å; Q437-D474 PolarHBondContact NE2-O 3.1Å; Q437-L475 WeakPolarHBondContact CB-O 3.21Å
438	F	97.4	Very high	93.9	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	31%	0.305	C	S	.	.			trans	-53.8	140.9	171	-58	-43.2	0	0	0	110.1	K416 M433 Q440 L475 M477 A565 L566 N569 N576	K416-F438 VanDerWaalsContact CB-O 3.27Å; K416-F438 WeakPolarHBondContact CB-O 3.33Å; M433-F438 HydrophobicContact CE-CD1 3.57Å; M433-F438 HydrophobicContact CE-CE1 3.51Å; M433-F438 HydrophobicContact CE-CZ 4.43Å; M433-F438 HydrophobicContact SD-CD1 3.93Å; M433-F438 HydrophobicContact SD-CE1 3.67Å; F438-Q440 PolarHBondContact O-N 3.15Å; F438-L475 HydrophobicContact CD2-CB 3.88Å; F438-L475 VanDerWaalsContact CD2-O 3.27Å; F438-L475 WeakPolarHBondContact CD2-O 3.3Å; F438-L475 HydrophobicContact CE1-CB 4.31Å; F438-L475 HydrophobicContact CE1-CD1 4.03Å; F438-L475 HydrophobicContact CE2-CB 3.53Å; F438-L475 HydrophobicContact CE2-CD1 4.19Å; F438-L475 HydrophobicContact CG-CB 4.41Å; F438-L475 HydrophobicContact CZ-CB 3.77Å; F438-L475 HydrophobicContact CZ-CD1 3.58Å; F438-L475 HydrophobicContact CZ-CG 4.32Å; F438-L475 PolarHBondContact N-O 3.3Å; F438-M477 HydrophobicContact CD2-CG 3.79Å; F438-M477 HydrophobicContact CD2-SD 4.49Å; F438-M477 HydrophobicContact CE2-CG 3.78Å; F438-M477 HydrophobicContact CE2-SD 3.99Å; F438-A565 HydrophobicContact CE2-CB 4.36Å; F438-A565 HydrophobicContact CZ-CB 3.83Å; F438-L566 HydrophobicContact CD1-CD2 4.4Å; F438-L566 HydrophobicContact CE1-CD2 3.75Å; F438-L566 HydrophobicContact CE1-CG 4.11Å; F438-N569 HydrophobicContact CD2-CB 3.82Å; F438-N569 VanDerWaalsContact CD2-CG 3.42Å; F438-N569 WeakPolarHBondContact CD2-ND2 3.48Å; F438-N569 HydrophobicContact CE2-CB 3.64Å; F438-N569 HydrophobicContact CG-CB 4.37Å; F438-N569 VanDerWaalsContact CG-ND2 3.34Å; F438-N569 WeakPolarHBondContact CG-ND2 3.28Å; F438-N569 HydrophobicContact CZ-CB 4.05Å; F438-N576 WeakPolarHBondContact CA-O 3.38Å; F438-N576 HydrophobicContact CD1-CB 4.13Å; F438-N576 WeakPolarHBondContact CD1-OD1 3.26Å; F438-N576 WeakPolarHBondContact CE1-OD1 3.4Å
439	F	96.3	Very high	94.4	Very high	53 Å²	53	55.3 Å²	55.3	23%	0.232	28%	0.283	C	S	.	.	S	Bend	trans	-51.1	-45.1	174.5	-179.2	-85.3	0	0	0	110.9	E414 Q437 V575 N576 R578	E414-F439 HydrophobicContact CB-CD2 4.47Å; E414-F439 HydrophobicContact CG-CD2 4.16Å; E414-F439 HydrophobicContact CG-CE2 4.1Å; Q437-F439 PolarHBondContact O-N 2.82Å; F439-V575 HydrophobicContact CB-CG1 4.21Å; F439-V575 WeakPolarHBondContact CB-O 3.49Å; F439-V575 HydrophobicContact CD1-CB 4.3Å; F439-V575 HydrophobicContact CD1-CG1 4.17Å; F439-V575 HydrophobicContact CG-CG1 4.48Å; F439-V575 PolarHBondContact N-O 2.96Å; F439-V575 VanDerWaalsContact N-O 3.13Å; F439-N576 PolarHBondContact N-O 2.97Å; F439-R578 HydrophobicContact CD1-CG 4.05Å; F439-R578 HydrophobicContact CD2-CB 4.42Å; F439-R578 HydrophobicContact CD2-CG 4.16Å; F439-R578 HydrophobicContact CE1-CG 4.27Å; F439-R578 VanDerWaalsContact CE1-NE 3.29Å; F439-R578 VanDerWaalsContact CE1-NH1 3.29Å; F439-R578 HydrophobicContact CE2-CG 4.35Å; F439-R578 HydrophobicContact CG-CG 4.02Å; F439-R578 HydrophobicContact CZ-CG 4.42Å
440	Q	96.5	Very high	94.8	Very high	88 Å²	88	53.2 Å²	53.2	41%	0.411	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-139.6	123.1	172.4	-177	176.8	-26.3	0	0	110	F438 N569 G574 V575	F438-Q440 PolarHBondContact O-N 3.15Å; Q440-N569 PolarHBondContact O-ND2 3.23Å; Q440-N569 PolarHBondContact O-OD1 3.3Å; Q440-G574 CarbonylContact O-C 3.39Å; Q440-G574 WeakPolarHBondContact O-CA 3.42Å; Q440-V575 HydrophobicContact CB-CB 4.04Å; Q440-V575 HydrophobicContact CB-CG2 4.49Å; Q440-V575 PolarHBondContact N-O 3.11Å; Q440-V575 CarbonylContact O-C 3.14Å; Q440-V575 PolarHBondContact O-N 3.26Å; Q440-V575 VanDerWaalsContact O-O 3.07Å
441	G	97.1	Very high	95.1	Very high	25 Å²	25	49 Å²	49	26%	0.258	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-82.3	136.6	173.8	0	0	0	0	0	111.8	G476 N569	G441-G476 WeakPolarHBondContact CA-O 3.31Å; G441-N569 WeakPolarHBondContact CA-OD1 3.47Å
442	G	97.1	Very high	95.4	Very high	4 Å²	4	43 Å²	43	4%	0.041	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-80	161.5	172.3	0	0	0	0	0	113.1	N478 N569	G442-N478 PolarHBondContact O-N 2.93Å; G442-N478 VanDerWaalsContact O-N 3.12Å; G442-N569 PolarHBondContact N-OD1 3.04Å
443	D	97.8	Very high	95.8	Very high	90 Å²	90	38.4 Å²	38.4	48%	0.481	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122	178.7	-72.3	-55.7	0	0	0	111.6	N478 R514	D443-N478 WeakPolarHBondContact OD1-CB 3.4Å; D443-N478 PolarHBondContact OD1-ND2 3.37Å; D443-R514 WeakPolarHBondContact O-CD 3.36Å
444	C	97.9	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	56.9	177.5	-172.6	0	0	0	0	111.2	N446 N478 M479 G480 L515 M572	C444-N446 PolarHBondContact O-N 3.41Å; C444-N478 CarbonylContact C-O 3.57Å; C444-N478 PolarHBondContact N-O 3.12Å; C444-M479 HydrophobicContact CB-CG 4.15Å; C444-M479 WeakPolarHBondContact O-CA 3.32Å; C444-G480 PolarHBondContact O-N 2.79Å; C444-L515 VanDerWaalsContact SG-CB 3.57Å; C444-M572 HydrophobicContact CB-CG 3.81Å; C444-M572 HydrophobicContact CB-SD 3.72Å
445	L	96.4	Very high	96.5	Very high	94 Å²	94	35.4 Å²	35.4	49%	0.492	20%	0.201	S	C	.	.			trans	-58.5	-34.8	-179.7	-68.6	176.9	0	0	0	113.3	N478 G480	L445-N478 VanDerWaalsContact CD2-OD1 3.29Å; L445-N478 WeakPolarHBondContact CD2-OD1 3.47Å; L445-G480 WeakPolarHBondContact O-CA 3.29Å
446	N	98.2	Very high	96.6	Very high	35 Å²	35	34.3 Å²	34.3	19%	0.187	20%	0.204	C	C	.	.			trans	-122.5	117	-173.8	-69.7	113.8	0	0	0	111.2	C444 D484 Y506 V512 R514	C444-N446 PolarHBondContact O-N 3.41Å; N446-D484 WeakPolarHBondContact CA-OD2 3.28Å; N446-D484 PolarHBondContact ND2-OD2 3.42Å; N446-Y506 HydrophobicContact CB-CE1 3.84Å; N446-V512 VanDerWaalsContact CB-O 3.32Å; N446-V512 WeakPolarHBondContact CB-O 3.2Å; N446-R514 PolarHBondContact O-N 3.33Å
447	F	98.6	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.8	176	69.5	-93	0	0	0	110.2	C465 A469 M479 G480 A483 D484 Y506 L515 F517	F447-C465 HydrophobicContact CE2-CB 3.91Å; F447-A469 HydrophobicContact CE1-CB 4.26Å; F447-A469 HydrophobicContact CZ-CB 4.05Å; F447-M479 HydrophobicContact CD1-CE 3.59Å; F447-M479 HydrophobicContact CD1-CG 4.13Å; F447-M479 HydrophobicContact CD2-CE 4.34Å; F447-M479 HydrophobicContact CE1-CE 3.57Å; F447-M479 HydrophobicContact CE1-CG 3.9Å; F447-M479 HydrophobicContact CE2-CE 4.33Å; F447-M479 HydrophobicContact CG-CE 3.98Å; F447-M479 HydrophobicContact CZ-CE 3.96Å; F447-G480 VanDerWaalsContact CE1-O 3.25Å; F447-G480 WeakPolarHBondContact CE1-O 3.45Å; F447-A483 HydrophobicContact CD2-CB 4.15Å; F447-A483 VanDerWaalsContact CE2-CA 3.5Å; F447-A483 HydrophobicContact CE2-CB 3.83Å; F447-A483 CarbonylContact O-C 3.57Å; F447-A483 WeakPolarHBondContact O-CA 3.41Å; F447-D484 PolarHBondContact O-N 3.48Å; F447-Y506 VanDerWaalsContact C-OH 3.24Å; F447-Y506 PolarHBondContact N-OH 3.34Å; F447-Y506 PolarHBondContact O-OH 2.87Å; F447-L515 WeakPolarHBondContact CA-O 3.25Å; F447-L515 HydrophobicContact CB-CB 3.89Å; F447-L515 WeakPolarHBondContact CB-O 3.22Å; F447-F517 AromaticContact CD2-CD2 3.67Å; F447-F517 HydrophobicContact CD2-CD2 3.67Å; F447-F517 AromaticContact CD2-CE2 3.68Å; F447-F517 HydrophobicContact CD2-CE2 3.68Å; F447-F517 HydrophobicContact CE2-CD2 4.02Å; F447-F517 AromaticContact CE2-CE2 3.84Å; F447-F517 HydrophobicContact CE2-CE2 3.84Å; F447-F517 HydrophobicContact CG-CE2 4.32Å
448	S	98.7	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	175.1	179.9	-78.6	0	0	0	0	111.1	T485 Y506 L515 F517	S448-T485 WeakPolarHBondContact CA-O 3.34Å; S448-T485 VanDerWaalsContact CB-O 3.28Å; S448-T485 WeakPolarHBondContact CB-O 3.35Å; S448-T485 PolarHBondContact OG-N 3.44Å; S448-T485 PolarHBondContact OG-O 3.03Å; S448-Y506 WeakPolarHBondContact OG-CE2 3.31Å; S448-Y506 PolarHBondContact OG-OH 3.43Å; S448-L515 PolarHBondContact N-O 3.18Å; S448-L515 VanDerWaalsContact N-O 3.13Å; S448-F517 PolarHBondContact O-N 3.31Å
449	A	98.7	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.2	177.2	0	0	0	0	0	113.9	V461 T485 L486 L487 F517	A449-V461 HydrophobicContact CB-CG1 3.79Å; A449-T485 PolarHBondContact N-O 3.33Å; A449-L486 HydrophobicContact CB-CD2 3.64Å; A449-L486 WeakPolarHBondContact O-CA 3.36Å; A449-L487 PolarHBondContact O-N 3.26Å; A449-F517 CarbonylContact C-O 3.55Å; A449-F517 VanDerWaalsContact CA-O 3.23Å; A449-F517 WeakPolarHBondContact CA-O 3.12Å; A449-F517 HydrophobicContact CB-CB 3.74Å
450	I	98.5	Very high	96.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.7	168.9	-62.8	173.3	0	0	0	108.7	L487 V489 F495 A498 V499 L502 L516 F517 V518 A519	I450-L487 CarbonylContact C-O 3.59Å; I450-L487 VanDerWaalsContact CA-O 3.31Å; I450-L487 WeakPolarHBondContact CA-O 3.42Å; I450-L487 HydrophobicContact CG1-CB 4.26Å; I450-V489 HydrophobicContact CG2-CG1 4.12Å; I450-V489 HydrophobicContact CG2-CG2 3.88Å; I450-F495 HydrophobicContact CB-CE2 4.33Å; I450-F495 HydrophobicContact CD1-CD2 4.34Å; I450-F495 HydrophobicContact CD1-CE2 3.96Å; I450-F495 HydrophobicContact CG2-CD2 4.1Å; I450-F495 HydrophobicContact CG2-CE2 4.2Å; I450-A498 HydrophobicContact CD1-CB 3.87Å; I450-V499 HydrophobicContact CD1-CG2 3.69Å; I450-L502 HydrophobicContact CG1-CD1 4.44Å; I450-L516 HydrophobicContact CD1-CD1 4.19Å; I450-L516 HydrophobicContact CD1-CD2 4.05Å; I450-L516 HydrophobicContact CG1-CD1 4.05Å; I450-F517 PolarHBondContact N-O 3.19Å; I450-V518 CarbonylContact O-C 3.45Å; I450-V518 VanDerWaalsContact O-CA 3.28Å; I450-V518 WeakPolarHBondContact O-CA 3.48Å; I450-A519 PolarHBondContact O-N 2.97Å
451	A	98.3	Very high	96.2	Very high	1 Å²	1	36 Å²	36	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.4	176.1	0	0	0	0	0	111.9	L458 V461 L487 T488 V489 A519	A451-L458 HydrophobicContact CB-CD2 4.24Å; A451-V461 HydrophobicContact CB-CG2 3.88Å; A451-L487 PolarHBondContact N-O 2.93Å; A451-T488 HydrophobicContact CB-CG2 4.44Å; A451-T488 CarbonylContact O-C 3.52Å; A451-T488 VanDerWaalsContact O-CA 3.25Å; A451-T488 WeakPolarHBondContact O-CA 3.48Å; A451-V489 PolarHBondContact O-N 3.49Å; A451-A519 HydrophobicContact CB-CB 3.9Å
452	F	97.7	Very high	96.3	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.013	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.6	167.2	-73.1	-93.4	0	0	0	109.3	V489 I492 F495 V518 A519 L520 E525 V529	F452-V489 WeakPolarHBondContact CA-O 3.46Å; F452-V489 HydrophobicContact CD1-CG2 3.54Å; F452-V489 HydrophobicContact CD2-CG2 4.2Å; F452-V489 HydrophobicContact CE1-CG2 3.52Å; F452-V489 HydrophobicContact CE2-CG2 4.19Å; F452-V489 HydrophobicContact CG-CG2 3.89Å; F452-V489 HydrophobicContact CZ-CG2 3.86Å; F452-I492 HydrophobicContact CE1-CB 4.49Å; F452-I492 HydrophobicContact CE1-CD1 4.04Å; F452-I492 HydrophobicContact CZ-CD1 3.73Å; F452-F495 AromaticContact CE2-CD2 3.92Å; F452-F495 HydrophobicContact CE2-CD2 3.92Å; F452-F495 HydrophobicContact CE2-CE2 4.38Å; F452-F495 HydrophobicContact CZ-CB 4Å; F452-F495 AromaticContact CZ-CD2 3.73Å; F452-F495 HydrophobicContact CZ-CD2 3.73Å; F452-F495 HydrophobicContact CZ-CG 4.05Å; F452-V518 HydrophobicContact CD2-CG1 4.11Å; F452-V518 HydrophobicContact CE2-CG1 3.72Å; F452-A519 WeakPolarHBondContact CD2-O 3.48Å; F452-A519 PolarHBondContact N-O 3.04Å; F452-L520 HydrophobicContact CD2-CD2 4.09Å; F452-L520 HydrophobicContact CE2-CD2 4Å; F452-E525 HydrophobicContact CD1-CG 4.21Å; F452-E525 WeakPolarHBondContact CD1-OE1 3.34Å; F452-E525 HydrophobicContact CE1-CG 4.19Å; F452-E525 WeakPolarHBondContact CG-OE2 3.47Å; F452-E525 HydrophobicContact CZ-CB 4.37Å; F452-V529 HydrophobicContact CE2-CG2 3.76Å; F452-V529 HydrophobicContact CZ-CG2 3.85Å
453	G	93.2	Very high	96.3	Very high	17 Å²	17	39.1 Å²	39.1	18%	0.175	24%	0.239	C	C	.	.	S	Bend	trans	129.9	-169	180	0	0	0	0	0	114.1	V489	G453-V489 PolarHBondContact N-O 2.93Å
454	P	93.1	Very high	96.4	Very high	69 Å²	69	34.9 Å²	34.9	45%	0.448	22%	0.216	S	C	.	.			trans	-71	155.5	-173.7	29.3	-35.4	0	0	0	112.2	S456 S457	P454-S456 WeakPolarHBondContact CG-OG 3.28Å; P454-S456 PolarHBondContact O-N 2.91Å; P454-S457 WeakPolarHBondContact O-CB 3.41Å; P454-S457 PolarHBondContact O-N 2.64Å; P454-S457 PolarHBondContact O-OG 2.85Å
455	P	93.3	Very high	96.4	Very high	72 Å²	72	34.9 Å²	34.9	47%	0.468	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-53.3	-28.1	175.6	-28.4	35.9	0	0	0	114.6	S457 L458	P455-S457 PolarHBondContact O-N 2.95Å; P455-S457 VanDerWaalsContact O-N 3.1Å; P455-L458 WeakPolarHBondContact O-CB 3.43Å; P455-L458 WeakPolarHBondContact O-CG 3.32Å; P455-L458 PolarHBondContact O-N 2.87Å
456	S	92.1	Very high	96.5	Very high	105 Å²	105	33.5 Å²	33.5	73%	0.734	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-60.7	-18	176.3	58	0	0	0	0	114.1	P454	P454-S456 WeakPolarHBondContact CG-OG 3.28Å; P454-S456 PolarHBondContact O-N 2.91Å
457	S	87.8	Confident	96.5	Very high	21 Å²	21	33.7 Å²	33.7	15%	0.147	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-77.7	-20.2	175.3	67.2	0	0	0	0	113.8	P454 P455 G459 K460 V461	P454-S457 WeakPolarHBondContact O-CB 3.41Å; P454-S457 PolarHBondContact O-N 2.64Å; P454-S457 PolarHBondContact O-OG 2.85Å; P455-S457 PolarHBondContact O-N 2.95Å; P455-S457 VanDerWaalsContact O-N 3.1Å; S457-G459 VanDerWaalsContact C-N 3.32Å; S457-G459 PolarHBondContact O-N 3.43Å; S457-K460 PolarHBondContact O-N 3.4Å; S457-V461 WeakPolarHBondContact O-CG2 3.43Å; S457-V461 PolarHBondContact O-N 3.05Å
458	L	95.2	Very high	96.5	Very high	36 Å²	36	33.7 Å²	33.7	19%	0.188	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-36.2	-171.7	-72.8	-177.7	0	0	0	113.7	A451 P455 K460 V461 G462 L486 T488	A451-L458 HydrophobicContact CB-CD2 4.24Å; P455-L458 WeakPolarHBondContact O-CB 3.43Å; P455-L458 WeakPolarHBondContact O-CG 3.32Å; P455-L458 PolarHBondContact O-N 2.87Å; L458-K460 VanDerWaalsContact C-N 3.34Å; L458-K460 PolarHBondContact O-N 3.18Å; L458-V461 PolarHBondContact O-N 3.47Å; L458-V461 VanDerWaalsContact O-N 3.16Å; L458-G462 PolarHBondContact O-N 2.61Å; L458-L486 HydrophobicContact CD2-CB 4.18Å; L458-T488 HydrophobicContact CD1-CG2 3.86Å; L458-T488 HydrophobicContact CD2-CG2 3.4Å; L458-T488 HydrophobicContact CG-CG2 3.45Å; L458-T488 VanDerWaalsContact CG-CG2 3.45Å
459	G	96.6	Very high	96.5	Very high	59 Å²	59	33.7 Å²	33.7	61%	0.608	21%	0.214	S	C	*	.	H	α-helix	trans	-57.4	-47.2	178.5	0	0	0	0	0	112.2	S457 V461 G462 E463	S457-G459 VanDerWaalsContact C-N 3.32Å; S457-G459 PolarHBondContact O-N 3.43Å; G459-V461 VanDerWaalsContact C-N 3.34Å; G459-V461 PolarHBondContact O-N 2.65Å; G459-G462 PolarHBondContact O-N 3.46Å; G459-E463 PolarHBondContact O-N 2.9Å
460	K	96.6	Very high	96.5	Very high	123 Å²	123	40 Å²	40	54%	0.535	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-34.8	177.3	-68.3	-179.6	179.3	173.5	0	112.1	S457 L458 E463 F464 L549	S457-K460 PolarHBondContact O-N 3.4Å; L458-K460 VanDerWaalsContact C-N 3.34Å; L458-K460 PolarHBondContact O-N 3.18Å; K460-E463 PolarHBondContact O-N 3.45Å; K460-F464 VanDerWaalsContact O-CB 3.29Å; K460-F464 WeakPolarHBondContact O-CB 3.27Å; K460-F464 PolarHBondContact O-N 2.88Å; K460-L549 HydrophobicContact CB-CD1 4.38Å; K460-L549 HydrophobicContact CB-CD2 4.28Å
461	V	98.1	Very high	96.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-68.3	-39.6	176.9	174.9	0	0	0	0	111	A449 A451 S457 L458 G459 F464 C465 L486 A519	A449-V461 HydrophobicContact CB-CG1 3.79Å; A451-V461 HydrophobicContact CB-CG2 3.88Å; S457-V461 WeakPolarHBondContact O-CG2 3.43Å; S457-V461 PolarHBondContact O-N 3.05Å; L458-V461 PolarHBondContact O-N 3.47Å; L458-V461 VanDerWaalsContact O-N 3.16Å; G459-V461 VanDerWaalsContact C-N 3.34Å; G459-V461 PolarHBondContact O-N 2.65Å; V461-F464 WeakPolarHBondContact O-CB 3.36Å; V461-F464 PolarHBondContact O-N 2.91Å; V461-C465 WeakPolarHBondContact O-CB 3.39Å; V461-C465 PolarHBondContact O-N 3.33Å; V461-C465 PolarHBondContact O-SG 2.97Å; V461-L486 HydrophobicContact CG1-CD2 4.41Å; V461-A519 HydrophobicContact CG2-CB 4Å
462	G	98.3	Very high	96.5	Very high	14 Å²	14	41.2 Å²	41.2	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-43	173.2	0	0	0	0	0	112.7	L458 G459 C465 T466	L458-G462 PolarHBondContact O-N 2.61Å; G459-G462 PolarHBondContact O-N 3.46Å; G462-C465 WeakPolarHBondContact O-CB 3.27Å; G462-C465 PolarHBondContact O-N 2.9Å; G462-T466 PolarHBondContact O-N 2.85Å; G462-T466 PolarHBondContact O-OG1 3.43Å
463	E	98.3	Very high	96.5	Very high	82 Å²	82	43.4 Å²	43.4	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-42.8	174.3	-173.9	-179.8	174.2	0	0	111.9	G459 K460 C465 T466 T467 V553	G459-E463 PolarHBondContact O-N 2.9Å; K460-E463 PolarHBondContact O-N 3.45Å; E463-C465 PolarHBondContact O-N 3.41Å; E463-T466 PolarHBondContact O-N 2.9Å; E463-T467 WeakPolarHBondContact O-CB 3.38Å; E463-T467 PolarHBondContact O-N 2.85Å; E463-T467 PolarHBondContact O-OG1 3.13Å; E463-V553 HydrophobicContact CB-CG2 4.45Å; E463-V553 HydrophobicContact CG-CG1 4.29Å; E463-V553 HydrophobicContact CG-CG2 4.42Å; E463-V553 VanDerWaalsContact OE2-CG1 3.3Å; E463-V553 WeakPolarHBondContact OE2-CG1 3.47Å
464	F	98.6	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.3	-52.4	173.3	174.4	-86.7	0	0	0	111.3	K460 V461 T466 T467 V468 F517 F544 T548 L549 V552 V553 L564	K460-F464 VanDerWaalsContact O-CB 3.29Å; K460-F464 WeakPolarHBondContact O-CB 3.27Å; K460-F464 PolarHBondContact O-N 2.88Å; V461-F464 WeakPolarHBondContact O-CB 3.36Å; V461-F464 PolarHBondContact O-N 2.91Å; F464-T466 VanDerWaalsContact C-N 3.32Å; F464-T466 PolarHBondContact O-N 2.97Å; F464-T467 PolarHBondContact O-N 3.48Å; F464-V468 HydrophobicContact CD1-CG2 4.21Å; F464-V468 HydrophobicContact CE1-CG2 3.86Å; F464-V468 HydrophobicContact CE2-CG2 4.2Å; F464-V468 HydrophobicContact CZ-CG2 3.86Å; F464-V468 WeakPolarHBondContact O-CG2 3.43Å; F464-V468 PolarHBondContact O-N 2.76Å; F464-F517 HydrophobicContact CD1-CD1 4.48Å; F464-F517 AromaticContact CE1-CD1 3.8Å; F464-F517 HydrophobicContact CE1-CD1 3.8Å; F464-F517 AromaticContact CE1-CE1 3.87Å; F464-F517 HydrophobicContact CE1-CE1 3.87Å; F464-F544 HydrophobicContact CD1-CD1 4.47Å; F464-F544 AromaticContact CD1-CE1 3.82Å; F464-F544 HydrophobicContact CD1-CE1 3.82Å; F464-F544 HydrophobicContact CD1-CE2 4.17Å; F464-F544 AromaticContact CD1-CZ 3.63Å; F464-F544 HydrophobicContact CD1-CZ 3.63Å; F464-F544 HydrophobicContact CD2-CE2 4.34Å; F464-F544 AromaticContact CE1-CD1 3.64Å; F464-F544 HydrophobicContact CE1-CD1 3.64Å; F464-F544 HydrophobicContact CE1-CD2 4.34Å; F464-F544 AromaticContact CE1-CE1 3.39Å; F464-F544 HydrophobicContact CE1-CE1 3.39Å; F464-F544 HydrophobicContact CE1-CE2 4.12Å; F464-F544 HydrophobicContact CE1-CG 4.11Å; F464-F544 AromaticContact CE1-CZ 3.64Å; F464-F544 HydrophobicContact CE1-CZ 3.64Å; F464-F544 HydrophobicContact CE2-CD2 4.15Å; F464-F544 HydrophobicContact CE2-CE2 4.27Å; F464-F544 HydrophobicContact CE2-CG 4.36Å; F464-F544 HydrophobicContact CG-CE2 4.3Å; F464-F544 HydrophobicContact CG-CZ 4.15Å; F464-F544 HydrophobicContact CZ-CB 4.4Å; F464-F544 AromaticContact CZ-CD1 3.77Å; F464-F544 HydrophobicContact CZ-CD1 3.77Å; F464-F544 AromaticContact CZ-CD2 4Å; F464-F544 HydrophobicContact CZ-CD2 4Å; F464-F544 AromaticContact CZ-CE1 3.95Å; F464-F544 HydrophobicContact CZ-CE1 3.95Å; F464-F544 HydrophobicContact CZ-CE2 4.17Å; F464-F544 AromaticContact CZ-CG 3.78Å; F464-F544 HydrophobicContact CZ-CG 3.78Å; F464-F544 HydrophobicContact CZ-CZ 4.13Å; F464-T548 HydrophobicContact CE2-CG2 4.27Å; F464-L549 HydrophobicContact CB-CD1 3.54Å; F464-L549 HydrophobicContact CD2-CD1 3.8Å; F464-L549 HydrophobicContact CG-CD1 3.88Å; F464-V552 HydrophobicContact CD2-CB 3.63Å; F464-V552 HydrophobicContact CD2-CG1 3.63Å; F464-V552 HydrophobicContact CD2-CG2 4.01Å; F464-V552 HydrophobicContact CE2-CB 3.77Å; F464-V552 HydrophobicContact CE2-CG1 4.07Å; F464-V552 HydrophobicContact CE2-CG2 3.6Å; F464-V552 HydrophobicContact CG-CG1 4.39Å; F464-V553 HydrophobicContact CB-CG2 3.83Å; F464-L564 HydrophobicContact CE2-CD1 4.05Å; F464-L564 HydrophobicContact CZ-CD1 3.75Å
465	C	98.7	Very high	96.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-46.9	178.8	-74.2	0	0	0	0	111.8	F447 V461 G462 E463 T467 V468 A469 A483	F447-C465 HydrophobicContact CE2-CB 3.91Å; V461-C465 WeakPolarHBondContact O-CB 3.39Å; V461-C465 PolarHBondContact O-N 3.33Å; V461-C465 PolarHBondContact O-SG 2.97Å; G462-C465 WeakPolarHBondContact O-CB 3.27Å; G462-C465 PolarHBondContact O-N 2.9Å; E463-C465 PolarHBondContact O-N 3.41Å; C465-T467 PolarHBondContact O-N 3.4Å; C465-V468 PolarHBondContact O-N 2.95Å; C465-A469 VanDerWaalsContact O-CB 3.24Å; C465-A469 WeakPolarHBondContact O-CB 3.22Å; C465-A469 PolarHBondContact O-N 3.33Å; C465-A483 HydrophobicContact CB-CB 4.43Å
466	T	98.6	Very high	97	Very high	65 Å²	65	42.5 Å²	42.5	40%	0.399	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-41.9	-179.9	-54.9	0	0	0	0	111.5	G462 E463 F464 K470	G462-T466 PolarHBondContact O-N 2.85Å; G462-T466 PolarHBondContact O-OG1 3.43Å; E463-T466 PolarHBondContact O-N 2.9Å; F464-T466 VanDerWaalsContact C-N 3.32Å; F464-T466 PolarHBondContact O-N 2.97Å; T466-K470 WeakPolarHBondContact O-CB 3.42Å; T466-K470 PolarHBondContact O-N 3.2Å
467	T	98.5	Very high	97.2	Very high	39 Å²	39	37.9 Å²	37.9	24%	0.239	22%	0.217	C	C	.	.	H	α-helix	trans	-70.1	-42.9	-179.1	-56.7	0	0	0	0	111.4	E463 F464 C465 K470 V471 V552 L561	E463-T467 WeakPolarHBondContact O-CB 3.38Å; E463-T467 PolarHBondContact O-N 2.85Å; E463-T467 PolarHBondContact O-OG1 3.13Å; F464-T467 PolarHBondContact O-N 3.48Å; C465-T467 PolarHBondContact O-N 3.4Å; T467-K470 PolarHBondContact O-N 3.2Å; T467-V471 PolarHBondContact O-N 3Å; T467-V552 HydrophobicContact CG2-CG1 4.07Å; T467-L561 HydrophobicContact CG2-CD1 4.15Å; T467-L561 HydrophobicContact CG2-CD2 3.89Å
468	V	98.6	Very high	97.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-45.5	175.4	172.6	0	0	0	0	110.6	F464 C465 K470 V471 C472 F517 V552 L561 L564 I568	F464-V468 HydrophobicContact CD1-CG2 4.21Å; F464-V468 HydrophobicContact CE1-CG2 3.86Å; F464-V468 HydrophobicContact CE2-CG2 4.2Å; F464-V468 HydrophobicContact CZ-CG2 3.86Å; F464-V468 WeakPolarHBondContact O-CG2 3.43Å; F464-V468 PolarHBondContact O-N 2.76Å; C465-V468 PolarHBondContact O-N 2.95Å; V468-K470 VanDerWaalsContact C-N 3.32Å; V468-K470 PolarHBondContact O-N 3.26Å; V468-V471 PolarHBondContact O-N 3.42Å; V468-C472 PolarHBondContact O-N 3.47Å; V468-C472 PolarHBondContact O-SG 2.85Å; V468-F517 HydrophobicContact CB-CZ 4.42Å; V468-F517 HydrophobicContact CG1-CE1 4.18Å; V468-F517 HydrophobicContact CG1-CZ 3.88Å; V468-V552 HydrophobicContact CG2-CG1 4.41Å; V468-L561 HydrophobicContact CG2-CD2 3.99Å; V468-L564 HydrophobicContact CG1-CB 4.47Å; V468-L564 HydrophobicContact CG2-CD1 3.92Å; V468-I568 HydrophobicContact CG1-CD1 3.46Å; V468-I568 VanDerWaalsContact CG1-CD1 3.46Å
469	A	98.6	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-39.4	178.5	0	0	0	0	0	112.7	F447 C465 C472 N473 M479 G480	F447-A469 HydrophobicContact CE1-CB 4.26Å; F447-A469 HydrophobicContact CZ-CB 4.05Å; C465-A469 VanDerWaalsContact O-CB 3.24Å; C465-A469 WeakPolarHBondContact O-CB 3.22Å; C465-A469 PolarHBondContact O-N 3.33Å; A469-C472 PolarHBondContact O-N 3.42Å; A469-N473 PolarHBondContact O-N 3.01Å; A469-N473 PolarHBondContact O-ND2 3.36Å; A469-M479 HydrophobicContact CB-CE 4.24Å; A469-M479 HydrophobicContact CB-CG 4.08Å; A469-M479 HydrophobicContact CB-SD 3.96Å; A469-G480 WeakPolarHBondContact CB-O 3.23Å
470	K	98.3	Very high	97.9	Very high	133 Å²	133	36.8 Å²	36.8	58%	0.578	20%	0.199	S	C	*	.	H	α-helix	trans	-56.4	-51.5	172.7	-176.4	-174.6	174	-176.2	0	111.1	T466 T467 V468 C472 N473 D474	T466-K470 WeakPolarHBondContact O-CB 3.42Å; T466-K470 PolarHBondContact O-N 3.2Å; T467-K470 PolarHBondContact O-N 3.2Å; V468-K470 VanDerWaalsContact C-N 3.32Å; V468-K470 PolarHBondContact O-N 3.26Å; K470-C472 VanDerWaalsContact C-N 3.32Å; K470-C472 PolarHBondContact O-N 3.03Å; K470-N473 PolarHBondContact O-N 3.19Å; K470-D474 VanDerWaalsContact O-CG 3.23Å; K470-D474 PolarHBondContact O-N 3.37Å
471	V	97.5	Very high	98	Very high	26 Å²	26	41.4 Å²	41.4	16%	0.158	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-37	-179.9	175.1	0	0	0	0	112	T467 V468 N473 D474 L475 L561 A565	T467-V471 PolarHBondContact O-N 3Å; V468-V471 PolarHBondContact O-N 3.42Å; V471-N473 VanDerWaalsContact C-N 3.34Å; V471-N473 PolarHBondContact O-N 3.33Å; V471-D474 PolarHBondContact O-N 3.45Å; V471-L475 HydrophobicContact CG1-CD1 3.97Å; V471-L475 HydrophobicContact CG1-CG 4.34Å; V471-L475 WeakPolarHBondContact O-CB 3.22Å; V471-L475 VanDerWaalsContact O-CG 3.29Å; V471-L475 WeakPolarHBondContact O-CG 3.28Å; V471-L475 PolarHBondContact O-N 3.03Å; V471-L561 HydrophobicContact CG1-CB 4.31Å; V471-L561 HydrophobicContact CG2-CB 4.14Å; V471-L561 HydrophobicContact CG2-CD1 4.19Å; V471-L561 HydrophobicContact CG2-CD2 4.13Å; V471-L561 HydrophobicContact CG2-CG 4.39Å; V471-A565 HydrophobicContact CG1-CB 4.19Å
472	C	98.4	Very high	98	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-44.9	174.3	-65.5	0	0	0	0	111.4	V468 A469 K470 L475 G476 M477 M479	V468-C472 PolarHBondContact O-N 3.47Å; V468-C472 PolarHBondContact O-SG 2.85Å; A469-C472 PolarHBondContact O-N 3.42Å; K470-C472 VanDerWaalsContact C-N 3.32Å; K470-C472 PolarHBondContact O-N 3.03Å; C472-L475 CarbonylContact O-C 3.55Å; C472-L475 PolarHBondContact O-N 3.34Å; C472-G476 PolarHBondContact O-N 3.08Å; C472-M477 HydrophobicContact CB-CB 4.15Å; C472-M477 HydrophobicContact CB-CG 4.26Å; C472-M477 HydrophobicContact CB-SD 3.71Å; C472-M477 VanDerWaalsContact O-CB 3.28Å; C472-M477 WeakPolarHBondContact O-CB 3.32Å; C472-M477 PolarHBondContact O-N 3.29Å; C472-M479 HydrophobicContact CB-CB 4.33Å; C472-M479 HydrophobicContact CB-SD 3.73Å
473	N	98.2	Very high	98	Very high	49 Å²	49	48.4 Å²	48.4	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-43.1	176	-73.3	-51.8	0	0	0	112.4	A469 K470 V471 L475 G476 M477 M479	A469-N473 PolarHBondContact O-N 3.01Å; A469-N473 PolarHBondContact O-ND2 3.36Å; K470-N473 PolarHBondContact O-N 3.19Å; V471-N473 VanDerWaalsContact C-N 3.34Å; V471-N473 PolarHBondContact O-N 3.33Å; N473-L475 PolarHBondContact O-N 3.41Å; N473-G476 PolarHBondContact O-N 3.41Å; N473-M477 PolarHBondContact OD1-O 2.95Å; N473-M479 PolarHBondContact ND2-O 3.29Å; N473-M479 PolarHBondContact OD1-N 2.86Å; N473-M479 PolarHBondContact OD1-O 2.76Å
474	D	96.1	Very high	98	Very high	92 Å²	92	47.8 Å²	47.8	49%	0.492	24%	0.241	S	C	.	.	H	α-helix	trans	-58.5	-34.7	176.1	-66.1	-19.5	0	0	0	110.9	Q437 K470 V471 G476	Q437-D474 PolarHBondContact NE2-O 3.1Å; K470-D474 VanDerWaalsContact O-CG 3.23Å; K470-D474 PolarHBondContact O-N 3.37Å; V471-D474 PolarHBondContact O-N 3.45Å; D474-G476 VanDerWaalsContact C-N 3.3Å; D474-G476 PolarHBondContact O-N 2.98Å
475	L	96.9	Very high	97.9	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.11	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	5.9	175.7	-65.2	179.9	0	0	0	114.5	M433 Q437 F438 V471 C472 N473 T562 A565	M433-L475 HydrophobicContact CE-CB 4.47Å; M433-L475 HydrophobicContact CE-CD1 3.97Å; M433-L475 HydrophobicContact CE-CD2 3.58Å; M433-L475 HydrophobicContact CE-CG 4.21Å; Q437-L475 WeakPolarHBondContact CB-O 3.21Å; F438-L475 HydrophobicContact CD2-CB 3.88Å; F438-L475 VanDerWaalsContact CD2-O 3.27Å; F438-L475 WeakPolarHBondContact CD2-O 3.3Å; F438-L475 HydrophobicContact CE1-CB 4.31Å; F438-L475 HydrophobicContact CE1-CD1 4.03Å; F438-L475 HydrophobicContact CE2-CB 3.53Å; F438-L475 HydrophobicContact CE2-CD1 4.19Å; F438-L475 HydrophobicContact CG-CB 4.41Å; F438-L475 HydrophobicContact CZ-CB 3.77Å; F438-L475 HydrophobicContact CZ-CD1 3.58Å; F438-L475 HydrophobicContact CZ-CG 4.32Å; F438-L475 PolarHBondContact N-O 3.3Å; V471-L475 HydrophobicContact CG1-CD1 3.97Å; V471-L475 HydrophobicContact CG1-CG 4.34Å; V471-L475 WeakPolarHBondContact O-CB 3.22Å; V471-L475 VanDerWaalsContact O-CG 3.29Å; V471-L475 WeakPolarHBondContact O-CG 3.28Å; V471-L475 PolarHBondContact O-N 3.03Å; C472-L475 CarbonylContact O-C 3.55Å; C472-L475 PolarHBondContact O-N 3.34Å; N473-L475 PolarHBondContact O-N 3.41Å; L475-T562 HydrophobicContact CD1-CG2 4.45Å; L475-A565 HydrophobicContact CD1-CB 3.76Å
476	G	96.5	Very high	97.9	Very high	25 Å²	25	51.6 Å²	51.6	26%	0.258	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	6.7	169.2	0	0	0	0	0	116.2	G441 C472 N473 D474	G441-G476 WeakPolarHBondContact CA-O 3.31Å; C472-G476 PolarHBondContact O-N 3.08Å; N473-G476 PolarHBondContact O-N 3.41Å; D474-G476 VanDerWaalsContact C-N 3.3Å; D474-G476 PolarHBondContact O-N 2.98Å
477	M	98.1	Very high	97.9	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.044	25%	0.247	C	C	.	.			trans	-73.2	163.2	168.7	-61.9	-172.4	63	0	0	111.6	F438 C472 N473 I568 N569 M572	F438-M477 HydrophobicContact CD2-CG 3.79Å; F438-M477 HydrophobicContact CD2-SD 4.49Å; F438-M477 HydrophobicContact CE2-CG 3.78Å; F438-M477 HydrophobicContact CE2-SD 3.99Å; C472-M477 HydrophobicContact CB-CB 4.15Å; C472-M477 HydrophobicContact CB-CG 4.26Å; C472-M477 HydrophobicContact CB-SD 3.71Å; C472-M477 VanDerWaalsContact O-CB 3.28Å; C472-M477 WeakPolarHBondContact O-CB 3.32Å; C472-M477 PolarHBondContact O-N 3.29Å; N473-M477 PolarHBondContact OD1-O 2.95Å; M477-I568 HydrophobicContact CE-CG2 3.88Å; M477-I568 HydrophobicContact SD-CG2 4.2Å; M477-N569 HydrophobicContact CE-CB 4.34Å; M477-N569 HydrophobicContact CG-CB 4.26Å; M477-N569 WeakPolarHBondContact CG-OD1 3.33Å; M477-N569 VanDerWaalsContact SD-CA 3.59Å; M477-N569 HydrophobicContact SD-CB 3.63Å; M477-M572 HydrophobicContact CE-CB 4.04Å; M477-M572 HydrophobicContact CE-CG 3.96Å
478	N	97.9	Very high	97.8	Very high	73 Å²	73	49.4 Å²	49.4	39%	0.39	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	85.5	168	176.7	29.5	0	0	0	109.1	G442 D443 C444 L445	G442-N478 PolarHBondContact O-N 2.93Å; G442-N478 VanDerWaalsContact O-N 3.12Å; D443-N478 WeakPolarHBondContact OD1-CB 3.4Å; D443-N478 PolarHBondContact OD1-ND2 3.37Å; C444-N478 CarbonylContact C-O 3.57Å; C444-N478 PolarHBondContact N-O 3.12Å; L445-N478 VanDerWaalsContact CD2-OD1 3.29Å; L445-N478 WeakPolarHBondContact CD2-OD1 3.47Å
479	M	98.2	Very high	97.8	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.4	-174.9	-170.1	168.9	-175.5	0	0	111.3	C444 F447 A469 C472 N473 L515 F517 I568	C444-M479 HydrophobicContact CB-CG 4.15Å; C444-M479 WeakPolarHBondContact O-CA 3.32Å; F447-M479 HydrophobicContact CD1-CE 3.59Å; F447-M479 HydrophobicContact CD1-CG 4.13Å; F447-M479 HydrophobicContact CD2-CE 4.34Å; F447-M479 HydrophobicContact CE1-CE 3.57Å; F447-M479 HydrophobicContact CE1-CG 3.9Å; F447-M479 HydrophobicContact CE2-CE 4.33Å; F447-M479 HydrophobicContact CG-CE 3.98Å; F447-M479 HydrophobicContact CZ-CE 3.96Å; A469-M479 HydrophobicContact CB-CE 4.24Å; A469-M479 HydrophobicContact CB-CG 4.08Å; A469-M479 HydrophobicContact CB-SD 3.96Å; C472-M479 HydrophobicContact CB-CB 4.33Å; C472-M479 HydrophobicContact CB-SD 3.73Å; N473-M479 PolarHBondContact ND2-O 3.29Å; N473-M479 PolarHBondContact OD1-N 2.86Å; N473-M479 PolarHBondContact OD1-O 2.76Å; M479-L515 HydrophobicContact CE-CD2 4.01Å; M479-F517 HydrophobicContact CE-CE2 3.66Å; M479-F517 HydrophobicContact CE-CZ 3.92Å; M479-I568 HydrophobicContact SD-CG2 4.46Å
480	G	98.1	Very high	97.5	Very high	14 Å²	14	58.7 Å²	58.7	14%	0.144	29%	0.285	C	S	.	.			trans	-53.3	150.5	173.3	0	0	0	0	0	111.9	C444 L445 F447 A469 K482	C444-G480 PolarHBondContact O-N 2.79Å; L445-G480 WeakPolarHBondContact O-CA 3.29Å; F447-G480 VanDerWaalsContact CE1-O 3.25Å; F447-G480 WeakPolarHBondContact CE1-O 3.45Å; A469-G480 WeakPolarHBondContact CB-O 3.23Å; G480-K482 PolarHBondContact O-N 3.43Å
481	R	98	Very high	97.3	Very high	220 Å²	220	56 Å²	56	83%	0.83	28%	0.276	S	S	*	.	S	Bend	trans	-74.8	-25.9	-175.3	-65.2	-176.7	-178.4	-176.7	2.7	113.7
482	K	97.8	Very high	97.2	Very high	149 Å²	149	57.4 Å²	57.4	65%	0.648	28%	0.283	S	S	*	.	S	Bend	trans	-149.3	161.3	-177.1	63.9	178	-175.9	176.5	0	109.8	G480	G480-K482 PolarHBondContact O-N 3.43Å
483	A	98.2	Very high	97	Very high	13 Å²	13	62.9 Å²	62.9	11%	0.107	32%	0.316	C	S	.	.			trans	-62.7	138.5	172.2	0	0	0	0	0	110.5	F447 C465 L486	F447-A483 HydrophobicContact CD2-CB 4.15Å; F447-A483 VanDerWaalsContact CE2-CA 3.5Å; F447-A483 HydrophobicContact CE2-CB 3.83Å; F447-A483 CarbonylContact O-C 3.57Å; F447-A483 WeakPolarHBondContact O-CA 3.41Å; C465-A483 HydrophobicContact CB-CB 4.43Å; A483-L486 HydrophobicContact CB-CD2 3.73Å; A483-L486 HydrophobicContact CB-CG 4.31Å
484	D	97.9	Very high	96.9	Very high	69 Å²	69	61.7 Å²	61.7	37%	0.369	32%	0.316	S	S	.	.	S	Bend	trans	-68	-46.9	174.6	-63.7	-50.2	0	0	0	110	N446 F447 Y506	N446-D484 WeakPolarHBondContact CA-OD2 3.28Å; N446-D484 PolarHBondContact ND2-OD2 3.42Å; F447-D484 PolarHBondContact O-N 3.48Å; D484-Y506 HydrophobicContact CB-CE1 4.45Å; D484-Y506 VanDerWaalsContact CB-OH 3.31Å; D484-Y506 WeakPolarHBondContact CB-OH 3.47Å; D484-Y506 VanDerWaalsContact OD2-CE1 3.31Å; D484-Y506 WeakPolarHBondContact OD2-CE1 3.28Å; D484-Y506 VanDerWaalsContact OD2-CZ 3.3Å; D484-Y506 PolarHBondContact OD2-OH 2.91Å
485	T	97.6	Very high	97	Very high	19 Å²	19	57.3 Å²	57.3	12%	0.117	29%	0.292	C	S	.	.			trans	-131.6	140.5	-179.5	-49.8	0	0	0	0	111.2	S448 A449 L487 E505	S448-T485 WeakPolarHBondContact CA-O 3.34Å; S448-T485 VanDerWaalsContact CB-O 3.28Å; S448-T485 WeakPolarHBondContact CB-O 3.35Å; S448-T485 PolarHBondContact OG-N 3.44Å; S448-T485 PolarHBondContact OG-O 3.03Å; A449-T485 PolarHBondContact N-O 3.33Å; T485-L487 HydrophobicContact CG2-CD2 4.03Å; T485-L487 HydrophobicContact CG2-CG 4.03Å; T485-E505 PolarHBondContact OG1-OE1 2.83Å
486	L	98	Very high	97.1	Very high	61 Å²	61	58.7 Å²	58.7	32%	0.319	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.3	174.8	-66.3	177.7	0	0	0	109.4	A449 L458 V461 A483	A449-L486 HydrophobicContact CB-CD2 3.64Å; A449-L486 WeakPolarHBondContact O-CA 3.36Å; L458-L486 HydrophobicContact CD2-CB 4.18Å; V461-L486 HydrophobicContact CG1-CD2 4.41Å; A483-L486 HydrophobicContact CB-CD2 3.73Å; A483-L486 HydrophobicContact CB-CG 4.31Å
487	L	97.8	Very high	97.2	Very high	18 Å²	18	65.5 Å²	65.5	9%	0.094	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.5	178.8	-59.3	177	0	0	0	111.5	A449 I450 A451 T485 A498 L502	A449-L487 PolarHBondContact O-N 3.26Å; I450-L487 CarbonylContact C-O 3.59Å; I450-L487 VanDerWaalsContact CA-O 3.31Å; I450-L487 WeakPolarHBondContact CA-O 3.42Å; I450-L487 HydrophobicContact CG1-CB 4.26Å; A451-L487 PolarHBondContact N-O 2.93Å; T485-L487 HydrophobicContact CG2-CD2 4.03Å; T485-L487 HydrophobicContact CG2-CG 4.03Å; L487-A498 HydrophobicContact CD1-CB 4.24Å; L487-L502 HydrophobicContact CD1-CB 4.14Å; L487-L502 HydrophobicContact CD1-CD1 4.38Å
488	T	97.6	Very high	97.2	Very high	39 Å²	39	65.6 Å²	65.6	24%	0.239	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152.5	167.5	55.8	0	0	0	0	112.3	A451 L458	A451-T488 HydrophobicContact CB-CG2 4.44Å; A451-T488 CarbonylContact O-C 3.52Å; A451-T488 VanDerWaalsContact O-CA 3.25Å; A451-T488 WeakPolarHBondContact O-CA 3.48Å; L458-T488 HydrophobicContact CD1-CG2 3.86Å; L458-T488 HydrophobicContact CD2-CG2 3.4Å; L458-T488 HydrophobicContact CG-CG2 3.45Å; L458-T488 VanDerWaalsContact CG-CG2 3.45Å
489	V	97.5	Very high	97.2	Very high	8 Å²	8	62.1 Å²	62.1	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.4	167.2	-64.9	0	0	0	0	108.8	I450 A451 F452 G453 A498	I450-V489 HydrophobicContact CG2-CG1 4.12Å; I450-V489 HydrophobicContact CG2-CG2 3.88Å; A451-V489 PolarHBondContact O-N 3.49Å; F452-V489 WeakPolarHBondContact CA-O 3.46Å; F452-V489 HydrophobicContact CD1-CG2 3.54Å; F452-V489 HydrophobicContact CD2-CG2 4.2Å; F452-V489 HydrophobicContact CE1-CG2 3.52Å; F452-V489 HydrophobicContact CE2-CG2 4.19Å; F452-V489 HydrophobicContact CG-CG2 3.89Å; F452-V489 HydrophobicContact CZ-CG2 3.86Å; G453-V489 PolarHBondContact N-O 2.93Å; V489-A498 HydrophobicContact CG1-CB 3.6Å
490	Y	94	Very high	97.2	Very high	189 Å²	189	68 Å²	68	74%	0.741	33%	0.326	S	S	*	.	S	Bend	trans	-77	-36.3	178.2	-70.6	-76.9	0	0	0	111.9
491	D	93.4	Very high	97.2	Very high	75 Å²	75	75.1 Å²	75.1	40%	0.401	35%	0.348	S	S	.	.	S	Bend	trans	-150.4	-178.3	-179.1	66.3	41.6	0	0	0	111.4	T493 G494	D491-T493 VanDerWaalsContact C-N 3.27Å; D491-T493 PolarHBondContact O-N 3.44Å; D491-T493 WeakPolarHBondContact OD1-CA 3.38Å; D491-T493 WeakPolarHBondContact OD1-CB 3.39Å; D491-T493 PolarHBondContact OD1-N 2.94Å; D491-T493 PolarHBondContact OD1-OG1 3.09Å; D491-G494 PolarHBondContact O-N 3.19Å
492	I	94.8	Very high	97.2	Very high	57 Å²	57	64.6 Å²	64.6	29%	0.292	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-66.5	-24.8	-174.7	-160.8	60.4	0	0	0	114.2	F452 G494 F495 E525 E528 V529	F452-I492 HydrophobicContact CE1-CB 4.49Å; F452-I492 HydrophobicContact CE1-CD1 4.04Å; F452-I492 HydrophobicContact CZ-CD1 3.73Å; I492-G494 VanDerWaalsContact C-N 3.26Å; I492-G494 PolarHBondContact O-N 3.49Å; I492-F495 HydrophobicContact CD1-CB 4.21Å; I492-F495 WeakPolarHBondContact O-CB 3.44Å; I492-F495 PolarHBondContact O-N 3.37Å; I492-E525 HydrophobicContact CD1-CB 4.34Å; I492-E528 HydrophobicContact CD1-CB 3.77Å; I492-E528 HydrophobicContact CD1-CG 3.74Å; I492-E528 HydrophobicContact CG1-CB 3.61Å; I492-E528 HydrophobicContact CG1-CG 3.3Å; I492-V529 HydrophobicContact CD1-CG2 4.01Å
493	T	95.1	Very high	97.2	Very high	115 Å²	115	59.6 Å²	59.6	71%	0.706	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-69.1	-29.3	180	72.6	0	0	0	0	111.7	D491	D491-T493 VanDerWaalsContact C-N 3.27Å; D491-T493 PolarHBondContact O-N 3.44Å; D491-T493 WeakPolarHBondContact OD1-CA 3.38Å; D491-T493 WeakPolarHBondContact OD1-CB 3.39Å; D491-T493 PolarHBondContact OD1-N 2.94Å; D491-T493 PolarHBondContact OD1-OG1 3.09Å
494	G	96.6	Very high	97.2	Very high	24 Å²	24	62 Å²	62	25%	0.247	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-78.3	-17.6	176	0	0	0	0	0	114.5	D491 I492 K497 A498	D491-G494 PolarHBondContact O-N 3.19Å; I492-G494 VanDerWaalsContact C-N 3.26Å; I492-G494 PolarHBondContact O-N 3.49Å; G494-K497 PolarHBondContact O-N 2.89Å; G494-A498 PolarHBondContact O-N 3Å
495	F	98.2	Very high	97.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-50	-170.7	-177.1	-105.1	0	0	0	112.8	I450 F452 I492 K497 A498 V499 L516 V518 V529 V532	I450-F495 HydrophobicContact CB-CE2 4.33Å; I450-F495 HydrophobicContact CD1-CD2 4.34Å; I450-F495 HydrophobicContact CD1-CE2 3.96Å; I450-F495 HydrophobicContact CG2-CD2 4.1Å; I450-F495 HydrophobicContact CG2-CE2 4.2Å; F452-F495 AromaticContact CE2-CD2 3.92Å; F452-F495 HydrophobicContact CE2-CD2 3.92Å; F452-F495 HydrophobicContact CE2-CE2 4.38Å; F452-F495 HydrophobicContact CZ-CB 4Å; F452-F495 AromaticContact CZ-CD2 3.73Å; F452-F495 HydrophobicContact CZ-CD2 3.73Å; F452-F495 HydrophobicContact CZ-CG 4.05Å; I492-F495 HydrophobicContact CD1-CB 4.21Å; I492-F495 WeakPolarHBondContact O-CB 3.44Å; I492-F495 PolarHBondContact O-N 3.37Å; F495-K497 VanDerWaalsContact C-N 3.31Å; F495-K497 PolarHBondContact O-N 3.34Å; F495-A498 PolarHBondContact O-N 3.27Å; F495-A498 VanDerWaalsContact O-N 3.13Å; F495-V499 HydrophobicContact CD1-CG2 4.18Å; F495-V499 HydrophobicContact CD2-CG2 4.45Å; F495-V499 HydrophobicContact CE1-CG2 3.7Å; F495-V499 HydrophobicContact CE2-CG2 4Å; F495-V499 HydrophobicContact CZ-CG2 3.58Å; F495-V499 WeakPolarHBondContact O-CG2 3.41Å; F495-V499 PolarHBondContact O-N 3Å; F495-L516 HydrophobicContact CZ-CD2 4.24Å; F495-V518 HydrophobicContact CE2-CG1 3.95Å; F495-V518 HydrophobicContact CE2-CG2 4.1Å; F495-V518 HydrophobicContact CZ-CG2 4.19Å; F495-V529 HydrophobicContact CD1-CG2 4.17Å; F495-V529 HydrophobicContact CD2-CG2 4.2Å; F495-V529 HydrophobicContact CE1-CB 4.11Å; F495-V529 HydrophobicContact CE1-CG1 4.03Å; F495-V529 HydrophobicContact CE1-CG2 4.03Å; F495-V529 HydrophobicContact CE2-CG1 4.34Å; F495-V529 HydrophobicContact CE2-CG2 4.06Å; F495-V529 HydrophobicContact CG-CG2 4.26Å; F495-V529 HydrophobicContact CZ-CB 4.19Å; F495-V529 HydrophobicContact CZ-CG1 3.71Å; F495-V529 HydrophobicContact CZ-CG2 3.99Å; F495-V532 HydrophobicContact CD1-CB 4.01Å; F495-V532 HydrophobicContact CD1-CG1 3.89Å; F495-V532 HydrophobicContact CD1-CG2 4.41Å; F495-V532 HydrophobicContact CE1-CB 3.99Å; F495-V532 HydrophobicContact CE1-CG1 3.89Å
496	E	98.3	Very high	97.2	Very high	49 Å²	49	61.2 Å²	61.2	23%	0.229	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-40.7	179.9	175.5	168.6	174.4	0	0	112.3	A498 V499 R500 V532 K536 F537	E496-A498 VanDerWaalsContact C-N 3.34Å; E496-V499 PolarHBondContact O-N 2.88Å; E496-R500 WeakPolarHBondContact O-CB 3.31Å; E496-R500 PolarHBondContact O-N 3.36Å; E496-R500 IonicContact OE1-NH2 2.82Å; E496-R500 PolarHBondContact OE1-NH2 3.13Å; E496-V532 HydrophobicContact CB-CG1 4.01Å; E496-V532 HydrophobicContact CB-CG2 4.41Å; E496-V532 HydrophobicContact CG-CG1 4.31Å; E496-K536 IonicContact OE1-NZ 3.18Å; E496-K536 PolarHBondContact OE1-NZ 3.3Å; E496-K536 IonicContact OE2-NZ 3.38Å; E496-K536 PolarHBondContact OE2-NZ 3.32Å; E496-F537 HydrophobicContact CG-CE2 4Å; E496-F537 HydrophobicContact CG-CZ 4.13Å
497	K	98.1	Very high	97.1	Very high	168 Å²	168	66.3 Å²	66.3	73%	0.73	31%	0.314	S	S	*	.	H	α-helix	trans	-64.3	-40.5	177.1	-173.9	178.1	179.4	179.2	0	111.3	G494 F495 R501	G494-K497 PolarHBondContact O-N 2.89Å; F495-K497 VanDerWaalsContact C-N 3.31Å; F495-K497 PolarHBondContact O-N 3.34Å; K497-R501 WeakPolarHBondContact O-CB 3.36Å; K497-R501 PolarHBondContact O-N 2.97Å
498	A	98.1	Very high	97.1	Very high	11 Å²	11	72.2 Å²	72.2	9%	0.091	34%	0.341	C	S	.	.	H	α-helix	trans	-65.9	-43.9	177.1	0	0	0	0	0	112.2	I450 L487 V489 G494 F495 E496 R501 L502	I450-A498 HydrophobicContact CD1-CB 3.87Å; L487-A498 HydrophobicContact CD1-CB 4.24Å; V489-A498 HydrophobicContact CG1-CB 3.6Å; G494-A498 PolarHBondContact O-N 3Å; F495-A498 PolarHBondContact O-N 3.27Å; F495-A498 VanDerWaalsContact O-N 3.13Å; E496-A498 VanDerWaalsContact C-N 3.34Å; A498-R501 PolarHBondContact O-N 3.43Å; A498-L502 WeakPolarHBondContact O-CB 3.43Å; A498-L502 PolarHBondContact O-N 2.7Å
499	V	98.5	Very high	97	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-46.3	175.4	177.1	0	0	0	0	110.9	I450 F495 E496 R501 L502 L503 L516 F537 I539	I450-V499 HydrophobicContact CD1-CG2 3.69Å; F495-V499 HydrophobicContact CD1-CG2 4.18Å; F495-V499 HydrophobicContact CD2-CG2 4.45Å; F495-V499 HydrophobicContact CE1-CG2 3.7Å; F495-V499 HydrophobicContact CE2-CG2 4Å; F495-V499 HydrophobicContact CZ-CG2 3.58Å; F495-V499 WeakPolarHBondContact O-CG2 3.41Å; F495-V499 PolarHBondContact O-N 3Å; E496-V499 PolarHBondContact O-N 2.88Å; V499-R501 PolarHBondContact O-N 3.49Å; V499-L502 PolarHBondContact O-N 3.26Å; V499-L503 HydrophobicContact CG1-CD1 3.84Å; V499-L503 HydrophobicContact CG1-CG 4.24Å; V499-L503 WeakPolarHBondContact O-CG 3.39Å; V499-L503 PolarHBondContact O-N 3.19Å; V499-L516 HydrophobicContact CG2-CD2 3.89Å; V499-F537 HydrophobicContact CB-CD2 4.14Å; V499-F537 HydrophobicContact CB-CE2 3.93Å; V499-F537 HydrophobicContact CB-CZ 4.47Å; V499-F537 HydrophobicContact CG1-CB 4.3Å; V499-F537 HydrophobicContact CG1-CD1 4.31Å; V499-F537 HydrophobicContact CG1-CD2 3.43Å; V499-F537 VanDerWaalsContact CG1-CD2 3.43Å; V499-F537 HydrophobicContact CG1-CE2 3.68Å; V499-F537 HydrophobicContact CG1-CG 3.77Å; V499-F537 HydrophobicContact CG1-CZ 4.24Å; V499-I539 HydrophobicContact CG1-CG2 4.45Å
500	R	98.3	Very high	97	Very high	131 Å²	131	82.1 Å²	82.1	49%	0.494	39%	0.393	S	S	.	.	H	α-helix	trans	-58.1	-49.9	177.4	-172.4	179.9	-58.3	-79.8	-3.9	111.7	E496 L502 L503 T504 F537	E496-R500 WeakPolarHBondContact O-CB 3.31Å; E496-R500 PolarHBondContact O-N 3.36Å; E496-R500 IonicContact OE1-NH2 2.82Å; E496-R500 PolarHBondContact OE1-NH2 3.13Å; R500-L502 VanDerWaalsContact C-N 3.32Å; R500-L502 PolarHBondContact O-N 3.01Å; R500-L503 PolarHBondContact O-N 3.35Å; R500-T504 PolarHBondContact O-N 2.97Å; R500-T504 PolarHBondContact O-OG1 3.06Å; R500-T504 VanDerWaalsContact O-OG1 3.04Å; R500-F537 HydrophobicContact CB-CE1 4.22Å; R500-F537 HydrophobicContact CB-CZ 3.95Å
501	R	97.9	Very high	97.1	Very high	162 Å²	162	77.9 Å²	77.9	61%	0.611	38%	0.378	S	S	*	.	H	α-helix	trans	-55.4	-48.8	177.9	175.8	-176.5	168.9	-169.3	-2.6	111.2	K497 A498 V499 T504 E505	K497-R501 WeakPolarHBondContact O-CB 3.36Å; K497-R501 PolarHBondContact O-N 2.97Å; A498-R501 PolarHBondContact O-N 3.43Å; V499-R501 PolarHBondContact O-N 3.49Å; R501-T504 PolarHBondContact O-N 3.42Å; R501-E505 PolarHBondContact O-N 3.34Å
502	L	97.8	Very high	97.2	Very high	0 Å²	0	79.2 Å²	79.2	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-60.8	-48.6	179.7	179.1	158.4	0	0	0	111.2	I450 L487 A498 V499 R500 T504 E505 Y506 C513 L516	I450-L502 HydrophobicContact CG1-CD1 4.44Å; L487-L502 HydrophobicContact CD1-CB 4.14Å; L487-L502 HydrophobicContact CD1-CD1 4.38Å; A498-L502 WeakPolarHBondContact O-CB 3.43Å; A498-L502 PolarHBondContact O-N 2.7Å; V499-L502 PolarHBondContact O-N 3.26Å; R500-L502 VanDerWaalsContact C-N 3.32Å; R500-L502 PolarHBondContact O-N 3.01Å; L502-T504 VanDerWaalsContact C-N 3.32Å; L502-T504 PolarHBondContact O-N 3.45Å; L502-E505 WeakPolarHBondContact O-CB 3.37Å; L502-E505 PolarHBondContact O-N 3.48Å; L502-Y506 HydrophobicContact CD2-CD2 3.64Å; L502-Y506 HydrophobicContact CD2-CE2 3.59Å; L502-Y506 HydrophobicContact CG-CD2 4.24Å; L502-Y506 HydrophobicContact CG-CE2 4.09Å; L502-Y506 VanDerWaalsContact O-CD2 3.31Å; L502-Y506 WeakPolarHBondContact O-CD2 3.31Å; L502-Y506 PolarHBondContact O-N 2.98Å; L502-C513 HydrophobicContact CD2-CB 4.25Å; L502-L516 HydrophobicContact CD1-CD1 3.82Å
503	L	97.7	Very high	97.4	Very high	44 Å²	44	77 Å²	77	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-66.5	-33	179.9	-67.7	179.1	0	0	0	113	V499 R500 Y506 K507 C513 F537 I539	V499-L503 HydrophobicContact CG1-CD1 3.84Å; V499-L503 HydrophobicContact CG1-CG 4.24Å; V499-L503 WeakPolarHBondContact O-CG 3.39Å; V499-L503 PolarHBondContact O-N 3.19Å; R500-L503 PolarHBondContact O-N 3.35Å; L503-Y506 PolarHBondContact O-N 2.88Å; L503-K507 PolarHBondContact O-N 3.48Å; L503-C513 HydrophobicContact CD2-CB 3.96Å; L503-F537 HydrophobicContact CD1-CB 3.82Å; L503-F537 HydrophobicContact CD1-CD1 3.55Å; L503-F537 HydrophobicContact CD1-CE1 4.31Å; L503-F537 HydrophobicContact CD1-CG 3.84Å; L503-I539 HydrophobicContact CD2-CD1 3.94Å
504	T	97.8	Very high	97.5	Very high	64 Å²	64	78.3 Å²	78.3	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-46.8	170.8	-62.1	0	0	0	0	111.1	R500 R501 L502 Y506 K507 E508	R500-T504 PolarHBondContact O-N 2.97Å; R500-T504 PolarHBondContact O-OG1 3.06Å; R500-T504 VanDerWaalsContact O-OG1 3.04Å; R501-T504 PolarHBondContact O-N 3.42Å; L502-T504 VanDerWaalsContact C-N 3.32Å; L502-T504 PolarHBondContact O-N 3.45Å; T504-Y506 VanDerWaalsContact C-N 3.32Å; T504-Y506 PolarHBondContact O-N 3.03Å; T504-K507 WeakPolarHBondContact O-CB 3.41Å; T504-K507 PolarHBondContact O-N 2.91Å; T504-K507 VanDerWaalsContact O-N 3.1Å; T504-E508 HydrophobicContact CG2-CG 4.37Å; T504-E508 WeakPolarHBondContact CG2-OE1 3.31Å; T504-E508 WeakPolarHBondContact O-CG 3.2Å; T504-E508 PolarHBondContact O-N 3.08Å
505	E	97.2	Very high	97.6	Very high	64 Å²	64	77.2 Å²	77.2	30%	0.299	36%	0.359	S	S	.	.	H	α-helix	trans	-60.2	-39.6	177.2	-176.5	-177.7	169.2	0	0	112	T485 R501 L502 N509	T485-E505 PolarHBondContact OG1-OE1 2.83Å; R501-E505 PolarHBondContact O-N 3.34Å; L502-E505 WeakPolarHBondContact O-CB 3.37Å; L502-E505 PolarHBondContact O-N 3.48Å; E505-N509 WeakPolarHBondContact O-CB 3.19Å; E505-N509 PolarHBondContact O-N 3.44Å; E505-N509 VanDerWaalsContact O-N 3.15Å; E505-N509 PolarHBondContact O-ND2 2.9Å
506	Y	97.8	Very high	97.6	Very high	7 Å²	7	77.2 Å²	77.2	3%	0.027	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-44.9	173.1	-89.8	-81.1	0	0	0	112.3	N446 F447 S448 D484 L502 L503 T504 N509 N510 K511 C513	N446-Y506 HydrophobicContact CB-CE1 3.84Å; F447-Y506 VanDerWaalsContact C-OH 3.24Å; F447-Y506 PolarHBondContact N-OH 3.34Å; F447-Y506 PolarHBondContact O-OH 2.87Å; S448-Y506 WeakPolarHBondContact OG-CE2 3.31Å; S448-Y506 PolarHBondContact OG-OH 3.43Å; D484-Y506 HydrophobicContact CB-CE1 4.45Å; D484-Y506 VanDerWaalsContact CB-OH 3.31Å; D484-Y506 WeakPolarHBondContact CB-OH 3.47Å; D484-Y506 VanDerWaalsContact OD2-CE1 3.31Å; D484-Y506 WeakPolarHBondContact OD2-CE1 3.28Å; D484-Y506 VanDerWaalsContact OD2-CZ 3.3Å; D484-Y506 PolarHBondContact OD2-OH 2.91Å; L502-Y506 HydrophobicContact CD2-CD2 3.64Å; L502-Y506 HydrophobicContact CD2-CE2 3.59Å; L502-Y506 HydrophobicContact CG-CD2 4.24Å; L502-Y506 HydrophobicContact CG-CE2 4.09Å; L502-Y506 VanDerWaalsContact O-CD2 3.31Å; L502-Y506 WeakPolarHBondContact O-CD2 3.31Å; L502-Y506 PolarHBondContact O-N 2.98Å; L503-Y506 PolarHBondContact O-N 2.88Å; T504-Y506 VanDerWaalsContact C-N 3.32Å; T504-Y506 PolarHBondContact O-N 3.03Å; Y506-N509 CarbonylContact O-C 3.58Å; Y506-N509 PolarHBondContact O-N 3.39Å; Y506-N510 PolarHBondContact O-N 2.94Å; Y506-K511 CarbonylContact C-O 3.57Å; Y506-K511 HydrophobicContact CD1-CB 3.61Å; Y506-K511 HydrophobicContact CE1-CB 4.25Å; Y506-K511 PolarHBondContact O-N 3.43Å; Y506-K511 VanDerWaalsContact O-O 3.07Å; Y506-C513 HydrophobicContact CD1-CB 4.06Å; Y506-C513 HydrophobicContact CD2-CB 3.59Å; Y506-C513 HydrophobicContact CE1-CB 4.02Å; Y506-C513 HydrophobicContact CE2-CB 3.48Å; Y506-C513 VanDerWaalsContact CE2-CB 3.48Å; Y506-C513 VanDerWaalsContact CE2-SG 3.53Å; Y506-C513 HydrophobicContact CG-CB 3.86Å
507	K	96.9	Very high	97.6	Very high	167 Å²	167	74.9 Å²	74.9	73%	0.726	35%	0.348	S	S	*	.	H	α-helix	trans	-63	-44	179	-174.2	180	178.1	-177.8	0	111.8	L503 T504 N509 N510	L503-K507 PolarHBondContact O-N 3.48Å; T504-K507 WeakPolarHBondContact O-CB 3.41Å; T504-K507 PolarHBondContact O-N 2.91Å; T504-K507 VanDerWaalsContact O-N 3.1Å; K507-N509 PolarHBondContact O-N 3.2Å; K507-N510 PolarHBondContact O-N 2.97Å; K507-N510 VanDerWaalsContact O-N 3.12Å
508	E	97.5	Very high	97.6	Very high	142 Å²	142	66.9 Å²	66.9	66%	0.664	31%	0.313	S	S	*	.	H	α-helix	trans	-61.6	-31.6	176.6	-72.6	170.5	176.6	0	0	112.2	T504	T504-E508 HydrophobicContact CG2-CG 4.37Å; T504-E508 WeakPolarHBondContact CG2-OE1 3.31Å; T504-E508 WeakPolarHBondContact O-CG 3.2Å; T504-E508 PolarHBondContact O-N 3.08Å
509	N	96.7	Very high	97.6	Very high	96 Å²	96	66.3 Å²	66.3	51%	0.513	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.9	177.3	-70.1	-57	0	0	0	114.1	E505 Y506 K507 K511	E505-N509 WeakPolarHBondContact O-CB 3.19Å; E505-N509 PolarHBondContact O-N 3.44Å; E505-N509 VanDerWaalsContact O-N 3.15Å; E505-N509 PolarHBondContact O-ND2 2.9Å; Y506-N509 CarbonylContact O-C 3.58Å; Y506-N509 PolarHBondContact O-N 3.39Å; K507-N509 PolarHBondContact O-N 3.2Å; N509-K511 HydrophobicContact CB-CD 4.49Å; N509-K511 PolarHBondContact O-N 3.44Å
510	N	96.6	Very high	97.6	Very high	160 Å²	160	66.6 Å²	66.6	86%	0.856	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	38	-176.5	-67.8	-41.1	0	0	0	114	Y506 K507	Y506-N510 PolarHBondContact O-N 2.94Å; K507-N510 PolarHBondContact O-N 2.97Å; K507-N510 VanDerWaalsContact O-N 3.12Å
511	K	96	Very high	97.4	Very high	99 Å²	99	63.3 Å²	63.3	43%	0.43	31%	0.307	S	S	.	.			trans	-120.9	163.3	177.6	-71.1	174.4	-179.2	178.6	0	110.7	Y506 N509	Y506-K511 CarbonylContact C-O 3.57Å; Y506-K511 HydrophobicContact CD1-CB 3.61Å; Y506-K511 HydrophobicContact CE1-CB 4.25Å; Y506-K511 PolarHBondContact O-N 3.43Å; Y506-K511 VanDerWaalsContact O-O 3.07Å; N509-K511 HydrophobicContact CB-CD 4.49Å; N509-K511 PolarHBondContact O-N 3.44Å
512	V	96.2	Very high	97.2	Very high	104 Å²	104	57.9 Å²	57.9	63%	0.63	29%	0.291	S	S	*	.			trans	-121.1	123	173.8	179.7	0	0	0	0	109.2	N446 R514	N446-V512 VanDerWaalsContact CB-O 3.32Å; N446-V512 WeakPolarHBondContact CB-O 3.2Å; V512-R514 PolarHBondContact O-N 2.92Å
513	C	97.9	Very high	96.9	Very high	11 Å²	11	61 Å²	61	7%	0.074	32%	0.316	C	S	.	.			trans	-73	113.2	171.8	-164.3	0	0	0	0	109.4	L502 L503 Y506 L515 I539	L502-C513 HydrophobicContact CD2-CB 4.25Å; L503-C513 HydrophobicContact CD2-CB 3.96Å; Y506-C513 HydrophobicContact CD1-CB 4.06Å; Y506-C513 HydrophobicContact CD2-CB 3.59Å; Y506-C513 HydrophobicContact CE1-CB 4.02Å; Y506-C513 HydrophobicContact CE2-CB 3.48Å; Y506-C513 VanDerWaalsContact CE2-CB 3.48Å; Y506-C513 VanDerWaalsContact CE2-SG 3.53Å; Y506-C513 HydrophobicContact CG-CB 3.86Å; C513-L515 PolarHBondContact SG-O 2.92Å; C513-L515 VanDerWaalsContact SG-O 3.4Å; C513-I539 HydrophobicContact CB-CD1 3.84Å
514	R	97.3	Very high	96.6	Very high	142 Å²	142	68.4 Å²	68.4	54%	0.536	34%	0.341	S	S	.	.			trans	-87.3	-28.1	-178.6	-60.8	-160.3	112.4	101	-0.6	113.2	D443 N446 V512 M572	D443-R514 WeakPolarHBondContact O-CD 3.36Å; N446-R514 PolarHBondContact O-N 3.33Å; V512-R514 PolarHBondContact O-N 2.92Å; R514-M572 HydrophobicContact CB-SD 4.12Å
515	L	98.6	Very high	96.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.5	-177.7	-178.8	64.2	0	0	0	111.4	C444 F447 S448 M479 C513 F517 M540 Q542 I568 M572	C444-L515 VanDerWaalsContact SG-CB 3.57Å; F447-L515 WeakPolarHBondContact CA-O 3.25Å; F447-L515 HydrophobicContact CB-CB 3.89Å; F447-L515 WeakPolarHBondContact CB-O 3.22Å; S448-L515 PolarHBondContact N-O 3.18Å; S448-L515 VanDerWaalsContact N-O 3.13Å; M479-L515 HydrophobicContact CE-CD2 4.01Å; C513-L515 PolarHBondContact SG-O 2.92Å; C513-L515 VanDerWaalsContact SG-O 3.4Å; L515-F517 HydrophobicContact CD2-CD2 4.38Å; L515-F517 HydrophobicContact CD2-CE2 3.79Å; L515-F517 HydrophobicContact CD2-CZ 3.95Å; L515-F517 HydrophobicContact CG-CE2 4.49Å; L515-M540 HydrophobicContact CD1-CB 4.32Å; L515-Q542 HydrophobicContact CD1-CB 4.04Å; L515-I568 HydrophobicContact CD2-CG1 4.3Å; L515-I568 HydrophobicContact CD2-CG2 3.9Å; L515-M572 HydrophobicContact CB-CE 3.92Å; L515-M572 HydrophobicContact CB-SD 4.34Å; L515-M572 HydrophobicContact CD1-CE 3.86Å; L515-M572 HydrophobicContact CG-CE 4.33Å
516	L	98.7	Very high	96.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	110.4	172.5	-176.1	64.2	0	0	0	110.7	I450 F495 V499 L502 V518 I539 M540 T541 Q542	I450-L516 HydrophobicContact CD1-CD1 4.19Å; I450-L516 HydrophobicContact CD1-CD2 4.05Å; I450-L516 HydrophobicContact CG1-CD1 4.05Å; F495-L516 HydrophobicContact CZ-CD2 4.24Å; V499-L516 HydrophobicContact CG2-CD2 3.89Å; L502-L516 HydrophobicContact CD1-CD1 3.82Å; L516-V518 HydrophobicContact CD2-CG2 4.15Å; L516-V518 HydrophobicContact CG-CG2 3.96Å; L516-I539 HydrophobicContact CB-CD1 3.89Å; L516-I539 HydrophobicContact CB-CG1 4.22Å; L516-M540 PolarHBondContact N-O 3.47Å; L516-T541 HydrophobicContact CB-CG2 4.2Å; L516-T541 HydrophobicContact CD2-CG2 4.32Å; L516-T541 CarbonylContact O-C 3.56Å; L516-T541 VanDerWaalsContact O-CA 3.22Å; L516-T541 WeakPolarHBondContact O-CA 3.16Å; L516-Q542 PolarHBondContact O-N 3Å
517	F	98.7	Very high	96.5	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.8	167.6	-79	-78.3	0	0	0	110	F447 S448 A449 I450 F464 V468 M479 L515 Q542 F544 I568	F447-F517 AromaticContact CD2-CD2 3.67Å; F447-F517 HydrophobicContact CD2-CD2 3.67Å; F447-F517 AromaticContact CD2-CE2 3.68Å; F447-F517 HydrophobicContact CD2-CE2 3.68Å; F447-F517 HydrophobicContact CE2-CD2 4.02Å; F447-F517 AromaticContact CE2-CE2 3.84Å; F447-F517 HydrophobicContact CE2-CE2 3.84Å; F447-F517 HydrophobicContact CG-CE2 4.32Å; S448-F517 PolarHBondContact O-N 3.31Å; A449-F517 CarbonylContact C-O 3.55Å; A449-F517 VanDerWaalsContact CA-O 3.23Å; A449-F517 WeakPolarHBondContact CA-O 3.12Å; A449-F517 HydrophobicContact CB-CB 3.74Å; I450-F517 PolarHBondContact N-O 3.19Å; F464-F517 HydrophobicContact CD1-CD1 4.48Å; F464-F517 AromaticContact CE1-CD1 3.8Å; F464-F517 HydrophobicContact CE1-CD1 3.8Å; F464-F517 AromaticContact CE1-CE1 3.87Å; F464-F517 HydrophobicContact CE1-CE1 3.87Å; V468-F517 HydrophobicContact CB-CZ 4.42Å; V468-F517 HydrophobicContact CG1-CE1 4.18Å; V468-F517 HydrophobicContact CG1-CZ 3.88Å; M479-F517 HydrophobicContact CE-CE2 3.66Å; M479-F517 HydrophobicContact CE-CZ 3.92Å; L515-F517 HydrophobicContact CD2-CD2 4.38Å; L515-F517 HydrophobicContact CD2-CE2 3.79Å; L515-F517 HydrophobicContact CD2-CZ 3.95Å; L515-F517 HydrophobicContact CG-CE2 4.49Å; F517-Q542 WeakPolarHBondContact CA-O 3.28Å; F517-Q542 HydrophobicContact CD1-CB 3.73Å; F517-Q542 HydrophobicContact CD1-CG 3.79Å; F517-Q542 HydrophobicContact CE1-CB 3.83Å; F517-Q542 HydrophobicContact CE1-CG 3.61Å; F517-Q542 HydrophobicContact CG-CB 4.48Å; F517-F544 HydrophobicContact CB-CE1 4.12Å; F517-F544 HydrophobicContact CD1-CD1 4.32Å; F517-F544 HydrophobicContact CD1-CE1 4.01Å; F517-I568 HydrophobicContact CE1-CD1 3.97Å; F517-I568 HydrophobicContact CZ-CD1 3.76Å
518	V	98.5	Very high	96.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	107.2	178.7	-170.6	0	0	0	0	110.3	I450 F452 F495 L516 L520 V529 T541 Q542 C543 F544	I450-V518 CarbonylContact O-C 3.45Å; I450-V518 VanDerWaalsContact O-CA 3.28Å; I450-V518 WeakPolarHBondContact O-CA 3.48Å; F452-V518 HydrophobicContact CD2-CG1 4.11Å; F452-V518 HydrophobicContact CE2-CG1 3.72Å; F495-V518 HydrophobicContact CE2-CG1 3.95Å; F495-V518 HydrophobicContact CE2-CG2 4.1Å; F495-V518 HydrophobicContact CZ-CG2 4.19Å; L516-V518 HydrophobicContact CD2-CG2 4.15Å; L516-V518 HydrophobicContact CG-CG2 3.96Å; V518-L520 HydrophobicContact CG1-CD2 3.84Å; V518-L520 PolarHBondContact O-N 3.45Å; V518-V529 HydrophobicContact CB-CG1 4.33Å; V518-V529 HydrophobicContact CG1-CG1 4.1Å; V518-V529 HydrophobicContact CG1-CG2 4.17Å; V518-V529 HydrophobicContact CG2-CG1 4.08Å; V518-T541 HydrophobicContact CG2-CG2 4.12Å; V518-Q542 PolarHBondContact N-O 3.47Å; V518-C543 CarbonylContact O-C 3.5Å; V518-C543 VanDerWaalsContact O-CA 3.29Å; V518-C543 WeakPolarHBondContact O-CA 3.47Å; V518-F544 PolarHBondContact O-N 3.41Å
519	A	98.1	Very high	96.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.7	176.1	0	0	0	0	0	109.3	I450 A451 F452 V461 F544	I450-A519 PolarHBondContact O-N 2.97Å; A451-A519 HydrophobicContact CB-CB 3.9Å; F452-A519 WeakPolarHBondContact CD2-O 3.48Å; F452-A519 PolarHBondContact N-O 3.04Å; V461-A519 HydrophobicContact CG2-CB 4Å; A519-F544 HydrophobicContact CB-CD2 4.34Å; A519-F544 HydrophobicContact CB-CE1 4.24Å; A519-F544 HydrophobicContact CB-CE2 3.52Å; A519-F544 HydrophobicContact CB-CZ 3.48Å; A519-F544 VanDerWaalsContact CB-CZ 3.48Å
520	L	97.7	Very high	96.7	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	143.1	-179.5	-57.2	177.1	0	0	0	110.9	F452 V518 E525 Y526 V529 C543 F544 M545 Q546	F452-L520 HydrophobicContact CD2-CD2 4.09Å; F452-L520 HydrophobicContact CE2-CD2 4Å; V518-L520 HydrophobicContact CG1-CD2 3.84Å; V518-L520 PolarHBondContact O-N 3.45Å; L520-E525 WeakPolarHBondContact CA-OE2 3.49Å; L520-E525 HydrophobicContact CD2-CB 3.96Å; L520-Y526 HydrophobicContact CD1-CD2 4.12Å; L520-V529 HydrophobicContact CD2-CG2 4.07Å; L520-C543 HydrophobicContact CD1-CB 3.99Å; L520-C543 HydrophobicContact CG-CB 4.31Å; L520-F544 PolarHBondContact N-O 3.5Å; L520-M545 HydrophobicContact CB-SD 3.67Å; L520-M545 HydrophobicContact CD1-SD 4.13Å; L520-Q546 PolarHBondContact O-NE2 3.35Å
521	S	95	Very high	96.7	Very high	62 Å²	62	55.4 Å²	55.4	43%	0.434	27%	0.268	S	S	.	.	S	Bend	trans	-92.3	-33.3	170	88.7	0	0	0	0	110.9	E525	S521-E525 PolarHBondContact N-OE2 3.3Å; S521-E525 PolarHBondContact OG-OE1 3.04Å
522	D	92.3	Very high	96.8	Very high	49 Å²	49	50.8 Å²	50.8	26%	0.262	25%	0.248	S	C	.	.	S	Bend	trans	-140.7	142.3	-178.3	-167.4	-65.1	0	0	0	111.2	R524 E525	D522-R524 VanDerWaalsContact CG-NE 3.34Å; D522-R524 PolarHBondContact O-N 3.26Å; D522-R524 VanDerWaalsContact O-N 3.1Å; D522-R524 VanDerWaalsContact OD1-CB 3.27Å; D522-R524 WeakPolarHBondContact OD1-CB 3.22Å; D522-R524 VanDerWaalsContact OD1-CG 3.27Å; D522-R524 WeakPolarHBondContact OD1-CG 3.47Å; D522-R524 IonicContact OD1-CZ 2.8Å; D522-R524 PolarHBondContact OD1-N 3.05Å; D522-R524 IonicContact OD1-NE 3.92Å; D522-R524 PolarHBondContact OD1-NE 3.35Å; D522-R524 IonicContact OD1-NH2 3.05Å; D522-R524 IonicContact OD2-CZ 2.76Å; D522-R524 IonicContact OD2-NE 2.7Å; D522-R524 PolarHBondContact OD2-NE 3.13Å; D522-R524 IonicContact OD2-NH2 3.78Å; D522-R524 PolarHBondContact OD2-NH2 3.07Å; D522-E525 HydrophobicContact CB-CG 4.46Å; D522-E525 PolarHBondContact N-OE2 3.22Å; D522-E525 WeakPolarHBondContact O-CB 3.38Å; D522-E525 PolarHBondContact O-N 2.99Å; D522-E525 VanDerWaalsContact O-N 3.1Å
523	A	91.1	Very high	96.9	Very high	65 Å²	65	45.9 Å²	45.9	54%	0.537	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-62	-20.7	179.7	0	0	0	0	0	113.5	E525 Y526	A523-E525 PolarHBondContact O-N 3.38Å; A523-Y526 WeakPolarHBondContact O-CB 3.37Å; A523-Y526 PolarHBondContact O-N 2.92Å
524	R	92.5	Very high	96.8	Very high	199 Å²	199	48.7 Å²	48.7	75%	0.751	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-70.7	-16.8	176.8	-67.1	173.1	-71.4	169.4	1.2	113.6	D522 P527	D522-R524 VanDerWaalsContact CG-NE 3.34Å; D522-R524 PolarHBondContact O-N 3.26Å; D522-R524 VanDerWaalsContact O-N 3.1Å; D522-R524 VanDerWaalsContact OD1-CB 3.27Å; D522-R524 WeakPolarHBondContact OD1-CB 3.22Å; D522-R524 VanDerWaalsContact OD1-CG 3.27Å; D522-R524 WeakPolarHBondContact OD1-CG 3.47Å; D522-R524 IonicContact OD1-CZ 2.8Å; D522-R524 PolarHBondContact OD1-N 3.05Å; D522-R524 IonicContact OD1-NE 3.92Å; D522-R524 PolarHBondContact OD1-NE 3.35Å; D522-R524 IonicContact OD1-NH2 3.05Å; D522-R524 IonicContact OD2-CZ 2.76Å; D522-R524 IonicContact OD2-NE 2.7Å; D522-R524 PolarHBondContact OD2-NE 3.13Å; D522-R524 IonicContact OD2-NH2 3.78Å; D522-R524 PolarHBondContact OD2-NH2 3.07Å; R524-P527 WeakPolarHBondContact O-CD 3.24Å
525	E	97	Very high	96.7	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.093	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-74.7	-29.2	175.8	-65.1	162.4	167.4	0	0	111.5	F452 I492 L520 S521 D522 A523 E528 V529	F452-E525 HydrophobicContact CD1-CG 4.21Å; F452-E525 WeakPolarHBondContact CD1-OE1 3.34Å; F452-E525 HydrophobicContact CE1-CG 4.19Å; F452-E525 WeakPolarHBondContact CG-OE2 3.47Å; F452-E525 HydrophobicContact CZ-CB 4.37Å; I492-E525 HydrophobicContact CD1-CB 4.34Å; L520-E525 WeakPolarHBondContact CA-OE2 3.49Å; L520-E525 HydrophobicContact CD2-CB 3.96Å; S521-E525 PolarHBondContact N-OE2 3.3Å; S521-E525 PolarHBondContact OG-OE1 3.04Å; D522-E525 HydrophobicContact CB-CG 4.46Å; D522-E525 PolarHBondContact N-OE2 3.22Å; D522-E525 WeakPolarHBondContact O-CB 3.38Å; D522-E525 PolarHBondContact O-N 2.99Å; D522-E525 VanDerWaalsContact O-N 3.1Å; A523-E525 PolarHBondContact O-N 3.38Å; E525-E528 PolarHBondContact O-N 3.4Å; E525-V529 WeakPolarHBondContact O-CG2 3.39Å; E525-V529 PolarHBondContact O-N 3.43Å
526	Y	97.5	Very high	96.7	Very high	112 Å²	112	52.1 Å²	52.1	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-55.2	-48.4	-172.6	178.2	-94.3	0	0	0	114.7	L520 A523 E528 V529 K530 C543	L520-Y526 HydrophobicContact CD1-CD2 4.12Å; A523-Y526 WeakPolarHBondContact O-CB 3.37Å; A523-Y526 PolarHBondContact O-N 2.92Å; Y526-E528 VanDerWaalsContact C-N 3.29Å; Y526-E528 PolarHBondContact O-N 3.05Å; Y526-V529 PolarHBondContact O-N 2.99Å; Y526-K530 HydrophobicContact CD1-CG 4.15Å; Y526-K530 HydrophobicContact CD2-CG 4.21Å; Y526-K530 HydrophobicContact CE1-CG 3.71Å; Y526-K530 HydrophobicContact CE2-CD 3.93Å; Y526-K530 HydrophobicContact CE2-CG 3.79Å; Y526-K530 HydrophobicContact CG-CG 4.39Å; Y526-K530 WeakPolarHBondContact O-CG 3.48Å; Y526-K530 PolarHBondContact O-N 3.47Å; Y526-C543 HydrophobicContact CD2-CB 3.88Å; Y526-C543 HydrophobicContact CE2-CB 3.99Å
527	P	96.6	Very high	96.6	Very high	83 Å²	83	54.5 Å²	54.5	54%	0.539	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-41.2	-177.7	-24.2	35.6	0	0	0	112.7	R524 K530 R531	R524-P527 WeakPolarHBondContact O-CD 3.24Å; P527-K530 PolarHBondContact O-N 3.01Å; P527-R531 WeakPolarHBondContact O-CB 3.47Å; P527-R531 PolarHBondContact O-N 3.34Å
528	E	97.6	Very high	96.5	Very high	62 Å²	62	57.7 Å²	57.7	29%	0.29	30%	0.304	S	S	.	.	H	α-helix	trans	-76.1	-36.3	-178.4	-178	59	-166.3	0	0	111.7	I492 E525 Y526 K530 R531 V532	I492-E528 HydrophobicContact CD1-CB 3.77Å; I492-E528 HydrophobicContact CD1-CG 3.74Å; I492-E528 HydrophobicContact CG1-CB 3.61Å; I492-E528 HydrophobicContact CG1-CG 3.3Å; E525-E528 PolarHBondContact O-N 3.4Å; Y526-E528 VanDerWaalsContact C-N 3.29Å; Y526-E528 PolarHBondContact O-N 3.05Å; E528-K530 VanDerWaalsContact C-N 3.3Å; E528-K530 PolarHBondContact O-N 3.3Å; E528-R531 PolarHBondContact O-N 3.36Å; E528-R531 IonicContact OE1-CZ 2.67Å; E528-R531 IonicContact OE1-NE 3.84Å; E528-R531 PolarHBondContact OE1-NE 2.8Å; E528-R531 IonicContact OE1-NH2 3.88Å; E528-R531 PolarHBondContact OE1-NH2 2.94Å; E528-R531 IonicContact OE2-CZ 3.24Å; E528-R531 IonicContact OE2-NE 3.58Å; E528-R531 PolarHBondContact OE2-NE 3.43Å; E528-R531 IonicContact OE2-NH2 3.62Å; E528-V532 HydrophobicContact CG-CG2 4.47Å; E528-V532 WeakPolarHBondContact O-CB 3.29Å; E528-V532 VanDerWaalsContact O-CG2 3.31Å; E528-V532 WeakPolarHBondContact O-CG2 3.32Å; E528-V532 PolarHBondContact O-N 3.13Å; E528-V532 WeakPolarHBondContact OE1-CG2 3.45Å
529	V	98.6	Very high	96.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.3	-46.9	168.7	165.5	0	0	0	0	110.9	F452 I492 F495 V518 L520 E525 Y526 A533 T541	F452-V529 HydrophobicContact CE2-CG2 3.76Å; F452-V529 HydrophobicContact CZ-CG2 3.85Å; I492-V529 HydrophobicContact CD1-CG2 4.01Å; F495-V529 HydrophobicContact CD1-CG2 4.17Å; F495-V529 HydrophobicContact CD2-CG2 4.2Å; F495-V529 HydrophobicContact CE1-CB 4.11Å; F495-V529 HydrophobicContact CE1-CG1 4.03Å; F495-V529 HydrophobicContact CE1-CG2 4.03Å; F495-V529 HydrophobicContact CE2-CG1 4.34Å; F495-V529 HydrophobicContact CE2-CG2 4.06Å; F495-V529 HydrophobicContact CG-CG2 4.26Å; F495-V529 HydrophobicContact CZ-CB 4.19Å; F495-V529 HydrophobicContact CZ-CG1 3.71Å; F495-V529 HydrophobicContact CZ-CG2 3.99Å; V518-V529 HydrophobicContact CB-CG1 4.33Å; V518-V529 HydrophobicContact CG1-CG1 4.1Å; V518-V529 HydrophobicContact CG1-CG2 4.17Å; V518-V529 HydrophobicContact CG2-CG1 4.08Å; L520-V529 HydrophobicContact CD2-CG2 4.07Å; E525-V529 WeakPolarHBondContact O-CG2 3.39Å; E525-V529 PolarHBondContact O-N 3.43Å; Y526-V529 PolarHBondContact O-N 2.99Å; V529-A533 WeakPolarHBondContact O-CB 3.41Å; V529-A533 PolarHBondContact O-N 2.98Å; V529-T541 HydrophobicContact CG1-CG2 4.49Å
530	K	98	Very high	96.4	Very high	42 Å²	42	62.1 Å²	62.1	18%	0.183	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-43.7	178.6	-66.9	-60.5	-69.2	152.9	0	112.2	Y526 P527 E528 V532 A533 D534 T541	Y526-K530 HydrophobicContact CD1-CG 4.15Å; Y526-K530 HydrophobicContact CD2-CG 4.21Å; Y526-K530 HydrophobicContact CE1-CG 3.71Å; Y526-K530 HydrophobicContact CE2-CD 3.93Å; Y526-K530 HydrophobicContact CE2-CG 3.79Å; Y526-K530 HydrophobicContact CG-CG 4.39Å; Y526-K530 WeakPolarHBondContact O-CG 3.48Å; Y526-K530 PolarHBondContact O-N 3.47Å; P527-K530 PolarHBondContact O-N 3.01Å; E528-K530 VanDerWaalsContact C-N 3.3Å; E528-K530 PolarHBondContact O-N 3.3Å; K530-V532 PolarHBondContact O-N 3.04Å; K530-A533 PolarHBondContact O-N 2.87Å; K530-D534 WeakPolarHBondContact CE-OD2 3.16Å; K530-D534 IonicContact NZ-OD1 2.76Å; K530-D534 PolarHBondContact NZ-OD1 2.89Å; K530-D534 IonicContact NZ-OD2 3.09Å; K530-D534 PolarHBondContact NZ-OD2 2.87Å; K530-D534 WeakPolarHBondContact O-CB 3.34Å; K530-D534 VanDerWaalsContact O-CG 3.29Å; K530-D534 PolarHBondContact O-N 3.26Å; K530-T541 PolarHBondContact NZ-OG1 3.37Å
531	R	97.4	Very high	96.4	Very high	109 Å²	109	62 Å²	62	41%	0.411	33%	0.326	S	S	.	.	I	π-helix	trans	-57.4	-49.5	175.6	-170.2	-168.4	73.3	91.3	-2.1	111.4	P527 E528 V535	P527-R531 WeakPolarHBondContact O-CB 3.47Å; P527-R531 PolarHBondContact O-N 3.34Å; E528-R531 PolarHBondContact O-N 3.36Å; E528-R531 IonicContact OE1-CZ 2.67Å; E528-R531 IonicContact OE1-NE 3.84Å; E528-R531 PolarHBondContact OE1-NE 2.8Å; E528-R531 IonicContact OE1-NH2 3.88Å; E528-R531 PolarHBondContact OE1-NH2 2.94Å; E528-R531 IonicContact OE2-CZ 3.24Å; E528-R531 IonicContact OE2-NE 3.58Å; E528-R531 PolarHBondContact OE2-NE 3.43Å; E528-R531 IonicContact OE2-NH2 3.62Å; R531-V535 WeakPolarHBondContact O-CB 3.43Å; R531-V535 PolarHBondContact O-N 3.01Å; R531-V535 VanDerWaalsContact O-N 3.08Å
532	V	98.4	Very high	96.6	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	31%	0.309	C	S	.	.	I	π-helix	trans	-64.9	-50.9	-179.8	171.5	0	0	0	0	110.6	F495 E496 E528 K530 K536 F537	F495-V532 HydrophobicContact CD1-CB 4.01Å; F495-V532 HydrophobicContact CD1-CG1 3.89Å; F495-V532 HydrophobicContact CD1-CG2 4.41Å; F495-V532 HydrophobicContact CE1-CB 3.99Å; F495-V532 HydrophobicContact CE1-CG1 3.89Å; E496-V532 HydrophobicContact CB-CG1 4.01Å; E496-V532 HydrophobicContact CB-CG2 4.41Å; E496-V532 HydrophobicContact CG-CG1 4.31Å; E528-V532 HydrophobicContact CG-CG2 4.47Å; E528-V532 WeakPolarHBondContact O-CB 3.29Å; E528-V532 VanDerWaalsContact O-CG2 3.31Å; E528-V532 WeakPolarHBondContact O-CG2 3.32Å; E528-V532 PolarHBondContact O-N 3.13Å; E528-V532 WeakPolarHBondContact OE1-CG2 3.45Å; K530-V532 PolarHBondContact O-N 3.04Å; V532-K536 VanDerWaalsContact O-CB 3.31Å; V532-K536 WeakPolarHBondContact O-CB 3.25Å; V532-K536 PolarHBondContact O-N 3.3Å; V532-F537 HydrophobicContact CG1-CD2 3.71Å; V532-F537 HydrophobicContact CG1-CE2 3.57Å; V532-F537 WeakPolarHBondContact O-CD2 3.39Å; V532-F537 PolarHBondContact O-N 2.92Å
533	A	98.2	Very high	96.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-68.9	-47.8	-175.4	0	0	0	0	0	113.1	V529 K530 F537 G538 I539 T541	V529-A533 WeakPolarHBondContact O-CB 3.41Å; V529-A533 PolarHBondContact O-N 2.98Å; K530-A533 PolarHBondContact O-N 2.87Å; A533-F537 CarbonylContact O-C 3.46Å; A533-G538 WeakPolarHBondContact O-CA 3.49Å; A533-G538 PolarHBondContact O-N 2.96Å; A533-I539 HydrophobicContact CB-CG2 3.93Å; A533-I539 PolarHBondContact O-N 3.16Å; A533-T541 HydrophobicContact CB-CG2 3.37Å
534	D	95.8	Very high	97.2	Very high	70 Å²	70	55.8 Å²	55.8	37%	0.374	28%	0.279	S	S	.	.	I	π-helix	trans	-79.7	-42.4	-173.2	-57.7	-11.2	0	0	0	111.7	K530	K530-D534 WeakPolarHBondContact CE-OD2 3.16Å; K530-D534 IonicContact NZ-OD1 2.76Å; K530-D534 PolarHBondContact NZ-OD1 2.89Å; K530-D534 IonicContact NZ-OD2 3.09Å; K530-D534 PolarHBondContact NZ-OD2 2.87Å; K530-D534 WeakPolarHBondContact O-CB 3.34Å; K530-D534 VanDerWaalsContact O-CG 3.29Å; K530-D534 PolarHBondContact O-N 3.26Å
535	V	95.4	Very high	97.4	Very high	117 Å²	117	49.5 Å²	49.5	71%	0.709	26%	0.259	S	S	*	.	I	π-helix	trans	-90.6	-42.3	-172.8	-174.4	0	0	0	0	112.4	R531	R531-V535 WeakPolarHBondContact O-CB 3.43Å; R531-V535 PolarHBondContact O-N 3.01Å; R531-V535 VanDerWaalsContact O-N 3.08Å
536	K	97.1	Very high	97.3	Very high	98 Å²	98	52.6 Å²	52.6	43%	0.426	27%	0.274	S	S	.	.	I	π-helix	trans	-86.4	-37.7	-176.3	-65.2	-171.4	165.2	-169.7	0	113.5	E496 V532	E496-K536 IonicContact OE1-NZ 3.18Å; E496-K536 PolarHBondContact OE1-NZ 3.3Å; E496-K536 IonicContact OE2-NZ 3.38Å; E496-K536 PolarHBondContact OE2-NZ 3.32Å; V532-K536 VanDerWaalsContact O-CB 3.31Å; V532-K536 WeakPolarHBondContact O-CB 3.25Å; V532-K536 PolarHBondContact O-N 3.3Å
537	F	97.4	Very high	97.2	Very high	50 Å²	50	56.4 Å²	56.4	22%	0.219	29%	0.287	C	S	.	.	I	π-helix	trans	-114.9	-15.8	-171	-66.8	-69.1	0	0	0	114.6	E496 V499 R500 L503 V532 A533 I539	E496-F537 HydrophobicContact CG-CE2 4Å; E496-F537 HydrophobicContact CG-CZ 4.13Å; V499-F537 HydrophobicContact CB-CD2 4.14Å; V499-F537 HydrophobicContact CB-CE2 3.93Å; V499-F537 HydrophobicContact CB-CZ 4.47Å; V499-F537 HydrophobicContact CG1-CB 4.3Å; V499-F537 HydrophobicContact CG1-CD1 4.31Å; V499-F537 HydrophobicContact CG1-CD2 3.43Å; V499-F537 VanDerWaalsContact CG1-CD2 3.43Å; V499-F537 HydrophobicContact CG1-CE2 3.68Å; V499-F537 HydrophobicContact CG1-CG 3.77Å; V499-F537 HydrophobicContact CG1-CZ 4.24Å; R500-F537 HydrophobicContact CB-CE1 4.22Å; R500-F537 HydrophobicContact CB-CZ 3.95Å; L503-F537 HydrophobicContact CD1-CB 3.82Å; L503-F537 HydrophobicContact CD1-CD1 3.55Å; L503-F537 HydrophobicContact CD1-CE1 4.31Å; L503-F537 HydrophobicContact CD1-CG 3.84Å; V532-F537 HydrophobicContact CG1-CD2 3.71Å; V532-F537 HydrophobicContact CG1-CE2 3.57Å; V532-F537 WeakPolarHBondContact O-CD2 3.39Å; V532-F537 PolarHBondContact O-N 2.92Å; A533-F537 CarbonylContact O-C 3.46Å; F537-I539 VanDerWaalsContact C-N 3.25Å; F537-I539 HydrophobicContact CB-CG2 4.04Å; F537-I539 PolarHBondContact O-N 3.34Å
538	G	96.2	Very high	97.2	Very high	66 Å²	66	54.2 Å²	54.2	68%	0.68	27%	0.272	S	S	*	.			trans	61.6	29.1	-177.3	0	0	0	0	0	114.1	A533	A533-G538 WeakPolarHBondContact O-CA 3.49Å; A533-G538 PolarHBondContact O-N 2.96Å
539	I	97	Very high	97.2	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.046	26%	0.26	C	S	.	.			trans	-102.7	130.2	-179.6	-175.2	164.8	0	0	0	111.8	V499 L503 C513 L516 A533 F537 T541	V499-I539 HydrophobicContact CG1-CG2 4.45Å; L503-I539 HydrophobicContact CD2-CD1 3.94Å; C513-I539 HydrophobicContact CB-CD1 3.84Å; L516-I539 HydrophobicContact CB-CD1 3.89Å; L516-I539 HydrophobicContact CB-CG1 4.22Å; A533-I539 HydrophobicContact CB-CG2 3.93Å; A533-I539 PolarHBondContact O-N 3.16Å; F537-I539 VanDerWaalsContact C-N 3.25Å; F537-I539 HydrophobicContact CB-CG2 4.04Å; F537-I539 PolarHBondContact O-N 3.34Å; I539-T541 PolarHBondContact O-N 3.39Å
540	M	97.6	Very high	97.2	Very high	85 Å²	85	59 Å²	59	42%	0.419	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.1	174.5	-84.3	-65.6	177.9	0	0	111.5	L515 L516 K571 M572	L515-M540 HydrophobicContact CD1-CB 4.32Å; L516-M540 PolarHBondContact N-O 3.47Å; M540-K571 HydrophobicContact SD-CB 4.35Å; M540-K571 HydrophobicContact SD-CD 4.47Å; M540-K571 HydrophobicContact SD-CG 4.19Å; M540-M572 HydrophobicContact CB-CE 3.92Å; M540-M572 HydrophobicContact CG-CE 4.35Å
541	T	98.5	Very high	97.2	Very high	2 Å²	2	58 Å²	58	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.3	178.9	47.2	0	0	0	0	112.4	L516 V518 V529 K530 A533 I539 K571	L516-T541 HydrophobicContact CB-CG2 4.2Å; L516-T541 HydrophobicContact CD2-CG2 4.32Å; L516-T541 CarbonylContact O-C 3.56Å; L516-T541 VanDerWaalsContact O-CA 3.22Å; L516-T541 WeakPolarHBondContact O-CA 3.16Å; V518-T541 HydrophobicContact CG2-CG2 4.12Å; V529-T541 HydrophobicContact CG1-CG2 4.49Å; K530-T541 PolarHBondContact NZ-OG1 3.37Å; A533-T541 HydrophobicContact CB-CG2 3.37Å; I539-T541 PolarHBondContact O-N 3.39Å; T541-K571 PolarHBondContact O-NZ 3.33Å
542	Q	98.4	Very high	97.2	Very high	17 Å²	17	52.8 Å²	52.8	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	90.4	163.7	-177.3	57	49.8	0	0	109.2	L515 L516 F517 V518 L564 T567 I568	L515-Q542 HydrophobicContact CD1-CB 4.04Å; L516-Q542 PolarHBondContact O-N 3Å; F517-Q542 WeakPolarHBondContact CA-O 3.28Å; F517-Q542 HydrophobicContact CD1-CB 3.73Å; F517-Q542 HydrophobicContact CD1-CG 3.79Å; F517-Q542 HydrophobicContact CE1-CB 3.83Å; F517-Q542 HydrophobicContact CE1-CG 3.61Å; F517-Q542 HydrophobicContact CG-CB 4.48Å; V518-Q542 PolarHBondContact N-O 3.47Å; Q542-L564 HydrophobicContact CG-CD2 4.39Å; Q542-T567 PolarHBondContact OE1-OG1 3.47Å; Q542-I568 HydrophobicContact CG-CD1 4.3Å; Q542-I568 HydrophobicContact CG-CG1 4.21Å
543	C	98.4	Very high	97.2	Very high	21 Å²	21	53.4 Å²	53.4	14%	0.142	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	143.6	176.7	-52.6	0	0	0	0	111.1	V518 L520 Y526	V518-C543 CarbonylContact O-C 3.5Å; V518-C543 VanDerWaalsContact O-CA 3.29Å; V518-C543 WeakPolarHBondContact O-CA 3.47Å; L520-C543 HydrophobicContact CD1-CB 3.99Å; L520-C543 HydrophobicContact CG-CB 4.31Å; Y526-C543 HydrophobicContact CD2-CB 3.88Å; Y526-C543 HydrophobicContact CE2-CB 3.99Å
544	F	98.2	Very high	97.1	Very high	8 Å²	8	58 Å²	58	4%	0.035	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.8	174.4	60.4	-87.8	0	0	0	111.2	F464 F517 V518 A519 L520 T548 L549	F464-F544 HydrophobicContact CD1-CD1 4.47Å; F464-F544 AromaticContact CD1-CE1 3.82Å; F464-F544 HydrophobicContact CD1-CE1 3.82Å; F464-F544 HydrophobicContact CD1-CE2 4.17Å; F464-F544 AromaticContact CD1-CZ 3.63Å; F464-F544 HydrophobicContact CD1-CZ 3.63Å; F464-F544 HydrophobicContact CD2-CE2 4.34Å; F464-F544 AromaticContact CE1-CD1 3.64Å; F464-F544 HydrophobicContact CE1-CD1 3.64Å; F464-F544 HydrophobicContact CE1-CD2 4.34Å; F464-F544 AromaticContact CE1-CE1 3.39Å; F464-F544 HydrophobicContact CE1-CE1 3.39Å; F464-F544 HydrophobicContact CE1-CE2 4.12Å; F464-F544 HydrophobicContact CE1-CG 4.11Å; F464-F544 AromaticContact CE1-CZ 3.64Å; F464-F544 HydrophobicContact CE1-CZ 3.64Å; F464-F544 HydrophobicContact CE2-CD2 4.15Å; F464-F544 HydrophobicContact CE2-CE2 4.27Å; F464-F544 HydrophobicContact CE2-CG 4.36Å; F464-F544 HydrophobicContact CG-CE2 4.3Å; F464-F544 HydrophobicContact CG-CZ 4.15Å; F464-F544 HydrophobicContact CZ-CB 4.4Å; F464-F544 AromaticContact CZ-CD1 3.77Å; F464-F544 HydrophobicContact CZ-CD1 3.77Å; F464-F544 AromaticContact CZ-CD2 4Å; F464-F544 HydrophobicContact CZ-CD2 4Å; F464-F544 AromaticContact CZ-CE1 3.95Å; F464-F544 HydrophobicContact CZ-CE1 3.95Å; F464-F544 HydrophobicContact CZ-CE2 4.17Å; F464-F544 AromaticContact CZ-CG 3.78Å; F464-F544 HydrophobicContact CZ-CG 3.78Å; F464-F544 HydrophobicContact CZ-CZ 4.13Å; F517-F544 HydrophobicContact CB-CE1 4.12Å; F517-F544 HydrophobicContact CD1-CD1 4.32Å; F517-F544 HydrophobicContact CD1-CE1 4.01Å; V518-F544 PolarHBondContact O-N 3.41Å; A519-F544 HydrophobicContact CB-CD2 4.34Å; A519-F544 HydrophobicContact CB-CE1 4.24Å; A519-F544 HydrophobicContact CB-CE2 3.52Å; A519-F544 HydrophobicContact CB-CZ 3.48Å; A519-F544 VanDerWaalsContact CB-CZ 3.48Å; L520-F544 PolarHBondContact N-O 3.5Å; F544-T548 HydrophobicContact CB-CG2 3.98Å; F544-L549 HydrophobicContact CD2-CB 4.22Å; F544-L549 HydrophobicContact CE2-CB 4.04Å; F544-L549 HydrophobicContact CE2-CD1 4.09Å
545	M	96.6	Very high	97.1	Very high	66 Å²	66	60.1 Å²	60.1	33%	0.325	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	164.7	178.1	-65	-65.4	-71	0	0	111.1	L520 R547 T548 L549	L520-M545 HydrophobicContact CB-SD 3.67Å; L520-M545 HydrophobicContact CD1-SD 4.13Å; M545-R547 PolarHBondContact O-N 2.91Å; M545-T548 WeakPolarHBondContact O-CB 3.27Å; M545-T548 PolarHBondContact O-N 3.36Å; M545-L549 PolarHBondContact O-N 2.97Å; M545-L549 VanDerWaalsContact O-N 3.08Å
546	Q	94.5	Very high	97.2	Very high	86 Å²	86	63.3 Å²	63.3	40%	0.402	30%	0.302	S	S	.	.	H	α-helix	trans	-51.3	-31.7	173.3	-62.3	-57.6	-40.4	0	0	114	L520 L549 R550	L520-Q546 PolarHBondContact O-NE2 3.35Å; Q546-L549 WeakPolarHBondContact O-CB 3.26Å; Q546-L549 PolarHBondContact O-N 2.88Å; Q546-R550 PolarHBondContact O-N 3.38Å
547	R	94.9	Very high	97.2	Very high	192 Å²	192	60.3 Å²	60.3	73%	0.725	29%	0.293	S	S	*	.	H	α-helix	trans	-61.9	-48.5	173.9	179	177.6	174.2	161.7	-1.3	111.9	M545 L549 R550 D551	M545-R547 PolarHBondContact O-N 2.91Å; R547-L549 VanDerWaalsContact C-N 3.32Å; R547-R550 PolarHBondContact O-N 3.41Å; R547-D551 IonicContact NE-OD2 2.94Å; R547-D551 WeakPolarHBondContact O-CB 3.5Å; R547-D551 VanDerWaalsContact O-CG 3.25Å; R547-D551 PolarHBondContact O-N 3.13Å
548	T	97.9	Very high	97	Very high	36 Å²	36	61.1 Å²	61.1	22%	0.221	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-38.8	178.4	-52.2	0	0	0	0	110.9	F464 F544 M545 R550 D551 V552 T560 L564	F464-T548 HydrophobicContact CE2-CG2 4.27Å; F544-T548 HydrophobicContact CB-CG2 3.98Å; M545-T548 WeakPolarHBondContact O-CB 3.27Å; M545-T548 PolarHBondContact O-N 3.36Å; T548-R550 VanDerWaalsContact C-N 3.35Å; T548-R550 PolarHBondContact O-N 2.84Å; T548-D551 PolarHBondContact O-N 3.34Å; T548-V552 PolarHBondContact O-N 3.24Å; T548-T560 HydrophobicContact CG2-CG2 3.91Å; T548-L564 HydrophobicContact CG2-CD1 4.11Å
549	L	97.4	Very high	96.9	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-56	-49.3	172.8	179.8	62.9	0	0	0	111.1	K460 F464 F544 M545 Q546 R547 V552 V553	K460-L549 HydrophobicContact CB-CD1 4.38Å; K460-L549 HydrophobicContact CB-CD2 4.28Å; F464-L549 HydrophobicContact CB-CD1 3.54Å; F464-L549 HydrophobicContact CD2-CD1 3.8Å; F464-L549 HydrophobicContact CG-CD1 3.88Å; F544-L549 HydrophobicContact CD2-CB 4.22Å; F544-L549 HydrophobicContact CE2-CB 4.04Å; F544-L549 HydrophobicContact CE2-CD1 4.09Å; M545-L549 PolarHBondContact O-N 2.97Å; M545-L549 VanDerWaalsContact O-N 3.08Å; Q546-L549 WeakPolarHBondContact O-CB 3.26Å; Q546-L549 PolarHBondContact O-N 2.88Å; R547-L549 VanDerWaalsContact C-N 3.32Å; L549-V552 PolarHBondContact O-N 2.92Å; L549-V553 HydrophobicContact CD1-CG2 3.91Å; L549-V553 WeakPolarHBondContact O-CB 3.44Å; L549-V553 PolarHBondContact O-N 2.91Å
550	R	97	Very high	96.9	Very high	155 Å²	155	63.7 Å²	63.7	59%	0.585	31%	0.312	S	S	*	.	H	α-helix	trans	-64.3	-41.8	176.5	-175.5	-177.5	177.7	-171.3	0.6	112.3	Q546 R547 T548 V552 V554 K555	Q546-R550 PolarHBondContact O-N 3.38Å; R547-R550 PolarHBondContact O-N 3.41Å; T548-R550 VanDerWaalsContact C-N 3.35Å; T548-R550 PolarHBondContact O-N 2.84Å; R550-V552 PolarHBondContact O-N 2.84Å; R550-V554 HydrophobicContact CG-CB 3.96Å; R550-V554 HydrophobicContact CG-CG2 4.04Å; R550-V554 WeakPolarHBondContact O-CA 3.43Å; R550-V554 WeakPolarHBondContact O-CB 3.47Å; R550-V554 PolarHBondContact O-N 2.88Å; R550-K555 PolarHBondContact O-N 3.28Å
551	D	98.3	Very high	96.9	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.102	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-31.6	-179.5	-71	-22.1	0	0	0	111.5	R547 T548 K555 R556 S557 T560	R547-D551 IonicContact NE-OD2 2.94Å; R547-D551 WeakPolarHBondContact O-CB 3.5Å; R547-D551 VanDerWaalsContact O-CG 3.25Å; R547-D551 PolarHBondContact O-N 3.13Å; T548-D551 PolarHBondContact O-N 3.34Å; D551-K555 CarbonylContact O-C 3.59Å; D551-K555 WeakPolarHBondContact OD1-CD 3.49Å; D551-K555 WeakPolarHBondContact OD1-CE 3.42Å; D551-K555 IonicContact OD1-NZ 3.81Å; D551-K555 PolarHBondContact OD1-NZ 3.11Å; D551-R556 PolarHBondContact O-N 3.19Å; D551-R556 VanDerWaalsContact O-N 3.16Å; D551-S557 VanDerWaalsContact O-CB 3.28Å; D551-S557 WeakPolarHBondContact O-CB 3.37Å; D551-S557 PolarHBondContact O-N 3.11Å; D551-T560 HydrophobicContact CB-CG2 4.27Å
552	V	98.1	Very high	96.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-82.9	-57.1	175.1	167.7	0	0	0	0	112.5	F464 T467 V468 T548 L549 R550 R556 T560 L561 L564	F464-V552 HydrophobicContact CD2-CB 3.63Å; F464-V552 HydrophobicContact CD2-CG1 3.63Å; F464-V552 HydrophobicContact CD2-CG2 4.01Å; F464-V552 HydrophobicContact CE2-CB 3.77Å; F464-V552 HydrophobicContact CE2-CG1 4.07Å; F464-V552 HydrophobicContact CE2-CG2 3.6Å; F464-V552 HydrophobicContact CG-CG1 4.39Å; T467-V552 HydrophobicContact CG2-CG1 4.07Å; V468-V552 HydrophobicContact CG2-CG1 4.41Å; T548-V552 PolarHBondContact O-N 3.24Å; L549-V552 PolarHBondContact O-N 2.92Å; R550-V552 PolarHBondContact O-N 2.84Å; V552-R556 VanDerWaalsContact O-CA 3.24Å; V552-R556 WeakPolarHBondContact O-CA 3.36Å; V552-R556 PolarHBondContact O-N 3.03Å; V552-T560 HydrophobicContact CG2-CG2 4Å; V552-L561 HydrophobicContact CB-CD2 4.48Å; V552-L561 HydrophobicContact CG1-CD2 3.82Å; V552-L561 HydrophobicContact CG1-CG 4.49Å; V552-L561 HydrophobicContact CG2-CD2 3.99Å; V552-L561 HydrophobicContact CG2-CG 4.19Å; V552-L564 HydrophobicContact CG2-CD1 3.86Å
553	V	97.5	Very high	96.7	Very high	16 Å²	16	65.5 Å²	65.5	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-76.2	-43.4	-169.5	172.1	0	0	0	0	111.9	E463 F464 L549	E463-V553 HydrophobicContact CB-CG2 4.45Å; E463-V553 HydrophobicContact CG-CG1 4.29Å; E463-V553 HydrophobicContact CG-CG2 4.42Å; E463-V553 VanDerWaalsContact OE2-CG1 3.3Å; E463-V553 WeakPolarHBondContact OE2-CG1 3.47Å; F464-V553 HydrophobicContact CB-CG2 3.83Å; L549-V553 HydrophobicContact CD1-CG2 3.91Å; L549-V553 WeakPolarHBondContact O-CB 3.44Å; L549-V553 PolarHBondContact O-N 2.91Å
554	V	96.2	Very high	96.6	Very high	95 Å²	95	65.1 Å²	65.1	58%	0.576	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-49.5	-174.6	-177	0	0	0	0	111.1	R550	R550-V554 HydrophobicContact CG-CB 3.96Å; R550-V554 HydrophobicContact CG-CG2 4.04Å; R550-V554 WeakPolarHBondContact O-CA 3.43Å; R550-V554 WeakPolarHBondContact O-CB 3.47Å; R550-V554 PolarHBondContact O-N 2.88Å
555	K	97.3	Very high	96.6	Very high	115 Å²	115	64.8 Å²	64.8	50%	0.5	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.5	-175.7	-58.2	-174.3	-170.5	158.7	0	114.1	R550 D551 S557	R550-K555 PolarHBondContact O-N 3.28Å; D551-K555 CarbonylContact O-C 3.59Å; D551-K555 WeakPolarHBondContact OD1-CD 3.49Å; D551-K555 WeakPolarHBondContact OD1-CE 3.42Å; D551-K555 IonicContact OD1-NZ 3.81Å; D551-K555 PolarHBondContact OD1-NZ 3.11Å; K555-S557 PolarHBondContact O-N 3.25Å
556	R	96	Very high	96.7	Very high	185 Å²	185	63.6 Å²	63.6	70%	0.698	32%	0.315	S	S	*	.			trans	48.4	43.9	-175.5	-60	-173.3	172.3	-176.2	-2.3	112.6	D551 V552 A558	D551-R556 PolarHBondContact O-N 3.19Å; D551-R556 VanDerWaalsContact O-N 3.16Å; V552-R556 VanDerWaalsContact O-CA 3.24Å; V552-R556 WeakPolarHBondContact O-CA 3.36Å; V552-R556 PolarHBondContact O-N 3.03Å; R556-A558 PolarHBondContact O-N 3.48Å
557	S	97	Very high	96.8	Very high	34 Å²	34	62 Å²	62	24%	0.238	31%	0.311	C	S	.	.			trans	-64.7	105.4	-177	175.5	0	0	0	0	110.9	D551 K555 T559 T560 L561	D551-S557 VanDerWaalsContact O-CB 3.28Å; D551-S557 WeakPolarHBondContact O-CB 3.37Å; D551-S557 PolarHBondContact O-N 3.11Å; K555-S557 PolarHBondContact O-N 3.25Å; S557-T559 VanDerWaalsContact C-N 3.31Å; S557-T559 PolarHBondContact O-N 3.41Å; S557-T560 WeakPolarHBondContact CB-OG1 3.4Å; S557-T560 PolarHBondContact O-N 3.32Å; S557-T560 VanDerWaalsContact O-N 3.13Å; S557-T560 PolarHBondContact OG-N 2.97Å; S557-T560 PolarHBondContact OG-OG1 3.1Å; S557-L561 PolarHBondContact O-N 3.19Å
558	A	94.1	Very high	97	Very high	68 Å²	68	52.8 Å²	52.8	56%	0.562	28%	0.276	S	S	*	.	H	α-helix	trans	-54.3	-46	177.8	0	0	0	0	0	112	R556 T560 L561 T562	R556-A558 PolarHBondContact O-N 3.48Å; A558-T560 VanDerWaalsContact C-N 3.34Å; A558-T560 PolarHBondContact O-N 2.79Å; A558-L561 WeakPolarHBondContact O-CB 3.4Å; A558-L561 PolarHBondContact O-N 2.88Å; A558-T562 PolarHBondContact O-N 3.38Å; A558-T562 PolarHBondContact O-OG1 2.93Å
559	T	93.9	Very high	97	Very high	98 Å²	98	51.1 Å²	51.1	60%	0.601	27%	0.266	S	S	*	.	H	α-helix	trans	-59.5	-42	177.8	-48.6	0	0	0	0	112.7	S557 N563	S557-T559 VanDerWaalsContact C-N 3.31Å; S557-T559 PolarHBondContact O-N 3.41Å; T559-N563 WeakPolarHBondContact O-CB 3.43Å; T559-N563 PolarHBondContact O-N 3.31Å; T559-N563 PolarHBondContact O-ND2 3.43Å
560	T	96.7	Very high	97	Very high	30 Å²	30	56.2 Å²	56.2	18%	0.184	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-42.7	177.9	-55.7	0	0	0	0	110.8	T548 D551 V552 S557 A558 N563 L564	T548-T560 HydrophobicContact CG2-CG2 3.91Å; D551-T560 HydrophobicContact CB-CG2 4.27Å; V552-T560 HydrophobicContact CG2-CG2 4Å; S557-T560 WeakPolarHBondContact CB-OG1 3.4Å; S557-T560 PolarHBondContact O-N 3.32Å; S557-T560 VanDerWaalsContact O-N 3.13Å; S557-T560 PolarHBondContact OG-N 2.97Å; S557-T560 PolarHBondContact OG-OG1 3.1Å; A558-T560 VanDerWaalsContact C-N 3.34Å; A558-T560 PolarHBondContact O-N 2.79Å; T560-N563 PolarHBondContact O-N 3.5Å; T560-L564 HydrophobicContact CG2-CD1 4.27Å; T560-L564 WeakPolarHBondContact O-CG 3.33Å; T560-L564 PolarHBondContact O-N 2.96Å
561	L	97.4	Very high	96.9	Very high	15 Å²	15	52 Å²	52	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-63.3	-47.9	177.5	-78.3	164	0	0	0	112.4	T467 V468 V471 V552 S557 A558 N563 L564 A565	T467-L561 HydrophobicContact CG2-CD1 4.15Å; T467-L561 HydrophobicContact CG2-CD2 3.89Å; V468-L561 HydrophobicContact CG2-CD2 3.99Å; V471-L561 HydrophobicContact CG1-CB 4.31Å; V471-L561 HydrophobicContact CG2-CB 4.14Å; V471-L561 HydrophobicContact CG2-CD1 4.19Å; V471-L561 HydrophobicContact CG2-CD2 4.13Å; V471-L561 HydrophobicContact CG2-CG 4.39Å; V552-L561 HydrophobicContact CB-CD2 4.48Å; V552-L561 HydrophobicContact CG1-CD2 3.82Å; V552-L561 HydrophobicContact CG1-CG 4.49Å; V552-L561 HydrophobicContact CG2-CD2 3.99Å; V552-L561 HydrophobicContact CG2-CG 4.19Å; S557-L561 PolarHBondContact O-N 3.19Å; A558-L561 WeakPolarHBondContact O-CB 3.4Å; A558-L561 PolarHBondContact O-N 2.88Å; L561-N563 VanDerWaalsContact C-N 3.34Å; L561-N563 PolarHBondContact O-N 3.04Å; L561-L564 PolarHBondContact O-N 2.6Å; L561-A565 PolarHBondContact O-N 3.1Å
562	T	95.9	Very high	96.8	Very high	39 Å²	39	52.5 Å²	52.5	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-42.5	177.3	-54.4	0	0	0	0	111.3	L475 A558 L564 A565 L566	L475-T562 HydrophobicContact CD1-CG2 4.45Å; A558-T562 PolarHBondContact O-N 3.38Å; A558-T562 PolarHBondContact O-OG1 2.93Å; T562-L564 PolarHBondContact O-N 3.41Å; T562-A565 PolarHBondContact O-N 2.93Å; T562-L566 HydrophobicContact CG2-CD1 4.21Å; T562-L566 WeakPolarHBondContact O-CB 3.48Å; T562-L566 WeakPolarHBondContact O-CG 3.41Å; T562-L566 PolarHBondContact O-N 3.46Å
563	N	96.3	Very high	96.7	Very high	88 Å²	88	54.7 Å²	54.7	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-39.5	177	-73	-15.8	0	0	0	112.5	T559 T560 L561 T567	T559-N563 WeakPolarHBondContact O-CB 3.43Å; T559-N563 PolarHBondContact O-N 3.31Å; T559-N563 PolarHBondContact O-ND2 3.43Å; T560-N563 PolarHBondContact O-N 3.5Å; L561-N563 VanDerWaalsContact C-N 3.34Å; L561-N563 PolarHBondContact O-N 3.04Å; N563-T567 WeakPolarHBondContact O-CG2 3.31Å; N563-T567 PolarHBondContact O-N 2.77Å; N563-T567 PolarHBondContact O-OG1 2.82Å
564	L	98.1	Very high	96.6	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-48.1	173.1	-74.7	168.5	0	0	0	110.8	F464 V468 Q542 T548 V552 T560 L561 T562 L566 T567 I568	F464-L564 HydrophobicContact CE2-CD1 4.05Å; F464-L564 HydrophobicContact CZ-CD1 3.75Å; V468-L564 HydrophobicContact CG1-CB 4.47Å; V468-L564 HydrophobicContact CG2-CD1 3.92Å; Q542-L564 HydrophobicContact CG-CD2 4.39Å; T548-L564 HydrophobicContact CG2-CD1 4.11Å; V552-L564 HydrophobicContact CG2-CD1 3.86Å; T560-L564 HydrophobicContact CG2-CD1 4.27Å; T560-L564 WeakPolarHBondContact O-CG 3.33Å; T560-L564 PolarHBondContact O-N 2.96Å; L561-L564 PolarHBondContact O-N 2.6Å; T562-L564 PolarHBondContact O-N 3.41Å; L564-L566 PolarHBondContact O-N 3.46Å; L564-T567 PolarHBondContact O-N 3.27Å; L564-T567 VanDerWaalsContact O-N 3.16Å; L564-T567 PolarHBondContact O-OG1 2.93Å; L564-I568 VanDerWaalsContact O-CG1 3.3Å; L564-I568 WeakPolarHBondContact O-CG1 3.23Å; L564-I568 PolarHBondContact O-N 2.89Å
565	A	97.8	Very high	96.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-44.3	179.1	0	0	0	0	0	112.3	F438 V471 L475 L561 T562 T567 I568 N569	F438-A565 HydrophobicContact CE2-CB 4.36Å; F438-A565 HydrophobicContact CZ-CB 3.83Å; V471-A565 HydrophobicContact CG1-CB 4.19Å; L475-A565 HydrophobicContact CD1-CB 3.76Å; L561-A565 PolarHBondContact O-N 3.1Å; T562-A565 PolarHBondContact O-N 2.93Å; A565-T567 VanDerWaalsContact C-N 3.27Å; A565-T567 PolarHBondContact O-N 2.9Å; A565-I568 PolarHBondContact O-N 3.5Å; A565-N569 WeakPolarHBondContact O-CB 3.39Å; A565-N569 PolarHBondContact O-N 2.67Å
566	L	97.3	Very high	96.6	Very high	41 Å²	41	45.2 Å²	45.2	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-53.2	-44.6	173.8	-80.4	165.3	0	0	0	111.7	M433 F438 T562 L564 N576	M433-L566 HydrophobicContact SD-CD2 3.58Å; M433-L566 VanDerWaalsContact SD-CD2 3.58Å; M433-L566 HydrophobicContact SD-CG 4.15Å; F438-L566 HydrophobicContact CD1-CD2 4.4Å; F438-L566 HydrophobicContact CE1-CD2 3.75Å; F438-L566 HydrophobicContact CE1-CG 4.11Å; T562-L566 HydrophobicContact CG2-CD1 4.21Å; T562-L566 WeakPolarHBondContact O-CB 3.48Å; T562-L566 WeakPolarHBondContact O-CG 3.41Å; T562-L566 PolarHBondContact O-N 3.46Å; L564-L566 PolarHBondContact O-N 3.46Å; L566-N576 HydrophobicContact CD2-CB 3.84Å; L566-N576 VanDerWaalsContact CD2-CG 3.47Å; L566-N576 VanDerWaalsContact CD2-ND2 3.32Å; L566-N576 WeakPolarHBondContact CD2-ND2 3.4Å; L566-N576 PolarHBondContact O-ND2 2.98Å
567	T	97.6	Very high	96.6	Very high	52 Å²	52	38.1 Å²	38.1	32%	0.319	23%	0.232	S	C	.	.	H	α-helix	trans	-72.6	-38.2	179.4	59.5	0	0	0	0	113.3	Q542 N563 L564 A565 K571	Q542-T567 PolarHBondContact OE1-OG1 3.47Å; N563-T567 WeakPolarHBondContact O-CG2 3.31Å; N563-T567 PolarHBondContact O-N 2.77Å; N563-T567 PolarHBondContact O-OG1 2.82Å; L564-T567 PolarHBondContact O-N 3.27Å; L564-T567 VanDerWaalsContact O-N 3.16Å; L564-T567 PolarHBondContact O-OG1 2.93Å; A565-T567 VanDerWaalsContact C-N 3.27Å; A565-T567 PolarHBondContact O-N 2.9Å; T567-K571 WeakPolarHBondContact O-CG 3.41Å; T567-K571 PolarHBondContact O-N 3.17Å
568	I	98.5	Very high	96.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.7	-42.9	179.4	-69.1	164.1	0	0	0	109.9	V468 M477 M479 L515 F517 Q542 L564 A565 M570 K571 M572	V468-I568 HydrophobicContact CG1-CD1 3.46Å; V468-I568 VanDerWaalsContact CG1-CD1 3.46Å; M477-I568 HydrophobicContact CE-CG2 3.88Å; M477-I568 HydrophobicContact SD-CG2 4.2Å; M479-I568 HydrophobicContact SD-CG2 4.46Å; L515-I568 HydrophobicContact CD2-CG1 4.3Å; L515-I568 HydrophobicContact CD2-CG2 3.9Å; F517-I568 HydrophobicContact CE1-CD1 3.97Å; F517-I568 HydrophobicContact CZ-CD1 3.76Å; Q542-I568 HydrophobicContact CG-CD1 4.3Å; Q542-I568 HydrophobicContact CG-CG1 4.21Å; L564-I568 VanDerWaalsContact O-CG1 3.3Å; L564-I568 WeakPolarHBondContact O-CG1 3.23Å; L564-I568 PolarHBondContact O-N 2.89Å; A565-I568 PolarHBondContact O-N 3.5Å; I568-M570 PolarHBondContact O-N 3.36Å; I568-K571 WeakPolarHBondContact O-CB 3.43Å; I568-K571 PolarHBondContact O-N 2.73Å; I568-K571 VanDerWaalsContact O-N 3.1Å; I568-M572 HydrophobicContact CG2-CG 4.22Å; I568-M572 VanDerWaalsContact O-CG 3.31Å; I568-M572 WeakPolarHBondContact O-CG 3.45Å; I568-M572 PolarHBondContact O-N 3.02Å
569	N	98.2	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.4	-49.4	179.7	-167.4	45.2	0	0	0	112	F438 Q440 G441 G442 M477 A565 K571 M572 G573 G574 N576	F438-N569 HydrophobicContact CD2-CB 3.82Å; F438-N569 VanDerWaalsContact CD2-CG 3.42Å; F438-N569 WeakPolarHBondContact CD2-ND2 3.48Å; F438-N569 HydrophobicContact CE2-CB 3.64Å; F438-N569 HydrophobicContact CG-CB 4.37Å; F438-N569 VanDerWaalsContact CG-ND2 3.34Å; F438-N569 WeakPolarHBondContact CG-ND2 3.28Å; F438-N569 HydrophobicContact CZ-CB 4.05Å; Q440-N569 PolarHBondContact O-ND2 3.23Å; Q440-N569 PolarHBondContact O-OD1 3.3Å; G441-N569 WeakPolarHBondContact CA-OD1 3.47Å; G442-N569 PolarHBondContact N-OD1 3.04Å; M477-N569 HydrophobicContact CE-CB 4.34Å; M477-N569 HydrophobicContact CG-CB 4.26Å; M477-N569 WeakPolarHBondContact CG-OD1 3.33Å; M477-N569 VanDerWaalsContact SD-CA 3.59Å; M477-N569 HydrophobicContact SD-CB 3.63Å; A565-N569 WeakPolarHBondContact O-CB 3.39Å; A565-N569 PolarHBondContact O-N 2.67Å; N569-K571 VanDerWaalsContact C-N 3.31Å; N569-K571 PolarHBondContact O-N 3.04Å; N569-M572 CarbonylContact O-C 3.58Å; N569-M572 PolarHBondContact O-N 3.25Å; N569-M572 VanDerWaalsContact O-N 3.08Å; N569-G573 PolarHBondContact O-N 3.04Å; N569-G574 WeakPolarHBondContact O-CA 3.41Å; N569-G574 PolarHBondContact O-N 3.23Å; N569-N576 VanDerWaalsContact CB-OD1 3.31Å; N569-N576 WeakPolarHBondContact CB-OD1 3.29Å; N569-N576 PolarHBondContact ND2-OD1 3.47Å
570	M	96.7	Very high	96.6	Very high	117 Å²	117	35.5 Å²	35.5	58%	0.576	20%	0.198	S	C	*	.	H	α-helix	trans	-62.5	-36.2	177	-66.5	-176.7	-57.5	0	0	112.8	I568 M572 G573 N576	I568-M570 PolarHBondContact O-N 3.36Å; M570-M572 PolarHBondContact O-N 3.23Å; M570-G573 PolarHBondContact O-N 2.76Å; M570-N576 WeakPolarHBondContact CG-ND2 3.32Å
571	K	96.2	Very high	96.4	Very high	67 Å²	67	35.6 Å²	35.6	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-27.9	176	-73.1	173.1	-179	177	0	112.9	M540 T541 T567 I568 N569 G573	M540-K571 HydrophobicContact SD-CB 4.35Å; M540-K571 HydrophobicContact SD-CD 4.47Å; M540-K571 HydrophobicContact SD-CG 4.19Å; T541-K571 PolarHBondContact O-NZ 3.33Å; T567-K571 WeakPolarHBondContact O-CG 3.41Å; T567-K571 PolarHBondContact O-N 3.17Å; I568-K571 WeakPolarHBondContact O-CB 3.43Å; I568-K571 PolarHBondContact O-N 2.73Å; I568-K571 VanDerWaalsContact O-N 3.1Å; N569-K571 VanDerWaalsContact C-N 3.31Å; N569-K571 PolarHBondContact O-N 3.04Å; K571-G573 VanDerWaalsContact C-N 3.31Å
572	M	97	Very high	96.2	Very high	28 Å²	28	37.2 Å²	37.2	14%	0.138	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	13.7	180	-58.2	-61.8	114.4	0	0	112.4	C444 M477 R514 L515 M540 I568 N569 M570 G574	C444-M572 HydrophobicContact CB-CG 3.81Å; C444-M572 HydrophobicContact CB-SD 3.72Å; M477-M572 HydrophobicContact CE-CB 4.04Å; M477-M572 HydrophobicContact CE-CG 3.96Å; R514-M572 HydrophobicContact CB-SD 4.12Å; L515-M572 HydrophobicContact CB-CE 3.92Å; L515-M572 HydrophobicContact CB-SD 4.34Å; L515-M572 HydrophobicContact CD1-CE 3.86Å; L515-M572 HydrophobicContact CG-CE 4.33Å; M540-M572 HydrophobicContact CB-CE 3.92Å; M540-M572 HydrophobicContact CG-CE 4.35Å; I568-M572 HydrophobicContact CG2-CG 4.22Å; I568-M572 VanDerWaalsContact O-CG 3.31Å; I568-M572 WeakPolarHBondContact O-CG 3.45Å; I568-M572 PolarHBondContact O-N 3.02Å; N569-M572 CarbonylContact O-C 3.58Å; N569-M572 PolarHBondContact O-N 3.25Å; N569-M572 VanDerWaalsContact O-N 3.08Å; M570-M572 PolarHBondContact O-N 3.23Å; M572-G574 VanDerWaalsContact C-N 3.31Å; M572-G574 PolarHBondContact O-N 2.62Å
573	G	94	Very high	96.2	Very high	47 Å²	47	40.7 Å²	40.7	49%	0.485	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	12.9	180	0	0	0	0	0	114.6	N569 M570 K571	N569-G573 PolarHBondContact O-N 3.04Å; M570-G573 PolarHBondContact O-N 2.76Å; K571-G573 VanDerWaalsContact C-N 3.31Å
574	G	96.9	Very high	96	Very high	7 Å²	7	42.2 Å²	42.2	7%	0.072	24%	0.24	C	C	.	.			trans	-80.7	159.7	173.6	0	0	0	0	0	112.8	Q440 N569 M572	Q440-G574 CarbonylContact O-C 3.39Å; Q440-G574 WeakPolarHBondContact O-CA 3.42Å; N569-G574 WeakPolarHBondContact O-CA 3.41Å; N569-G574 PolarHBondContact O-N 3.23Å; M572-G574 VanDerWaalsContact C-N 3.31Å; M572-G574 PolarHBondContact O-N 2.62Å
575	V	97	Very high	95.9	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-111.4	115.8	177.3	178.6	0	0	0	0	108.9	F439 Q440 T577 R578 A626 E627	F439-V575 HydrophobicContact CB-CG1 4.21Å; F439-V575 WeakPolarHBondContact CB-O 3.49Å; F439-V575 HydrophobicContact CD1-CB 4.3Å; F439-V575 HydrophobicContact CD1-CG1 4.17Å; F439-V575 HydrophobicContact CG-CG1 4.48Å; F439-V575 PolarHBondContact N-O 2.96Å; F439-V575 VanDerWaalsContact N-O 3.13Å; Q440-V575 HydrophobicContact CB-CB 4.04Å; Q440-V575 HydrophobicContact CB-CG2 4.49Å; Q440-V575 PolarHBondContact N-O 3.11Å; Q440-V575 CarbonylContact O-C 3.14Å; Q440-V575 PolarHBondContact O-N 3.26Å; Q440-V575 VanDerWaalsContact O-O 3.07Å; V575-T577 WeakPolarHBondContact CG1-O 3.39Å; V575-R578 HydrophobicContact CG1-CG 3.86Å; V575-A626 HydrophobicContact CG1-CB 3.79Å; V575-A626 HydrophobicContact CG2-CB 4.34Å; V575-E627 HydrophobicContact CG2-CG 4.03Å
576	N	96.2	Very high	95.8	Very high	16 Å²	16	46.6 Å²	46.6	9%	0.086	26%	0.26	C	S	.	.	S	Bend	trans	-68.1	-45.6	179.6	-70.4	-24.8	0	0	0	111.9	Y415 F438 F439 L566 N569 M570	Y415-N576 WeakPolarHBondContact CD1-O 3.39Å; Y415-N576 WeakPolarHBondContact CE1-O 3.28Å; F438-N576 WeakPolarHBondContact CA-O 3.38Å; F438-N576 HydrophobicContact CD1-CB 4.13Å; F438-N576 WeakPolarHBondContact CD1-OD1 3.26Å; F438-N576 WeakPolarHBondContact CE1-OD1 3.4Å; F439-N576 PolarHBondContact N-O 2.97Å; L566-N576 HydrophobicContact CD2-CB 3.84Å; L566-N576 VanDerWaalsContact CD2-CG 3.47Å; L566-N576 VanDerWaalsContact CD2-ND2 3.32Å; L566-N576 WeakPolarHBondContact CD2-ND2 3.4Å; L566-N576 PolarHBondContact O-ND2 2.98Å; N569-N576 VanDerWaalsContact CB-OD1 3.31Å; N569-N576 WeakPolarHBondContact CB-OD1 3.29Å; N569-N576 PolarHBondContact ND2-OD1 3.47Å; M570-N576 WeakPolarHBondContact CG-ND2 3.32Å
577	T	95.3	Very high	95.7	Very high	37 Å²	37	47 Å²	47	23%	0.227	27%	0.269	C	S	.	.			trans	-155.4	157.6	-175.5	-172.4	0	0	0	0	110.3	E414 Y415 V575	E414-T577 WeakPolarHBondContact O-CA 3.32Å; E414-T577 PolarHBondContact O-OG1 2.59Å; Y415-T577 VanDerWaalsContact CE2-OG1 3.28Å; Y415-T577 WeakPolarHBondContact CE2-OG1 3.5Å; Y415-T577 VanDerWaalsContact CZ-CB 3.44Å; Y415-T577 WeakPolarHBondContact OH-CB 3.31Å; V575-T577 WeakPolarHBondContact CG1-O 3.39Å
578	R	94.4	Very high	95.5	Very high	40 Å²	40	47.5 Å²	47.5	15%	0.151	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	159.6	170.6	-68.6	-170.1	173.5	169.3	0	110.6	L413 E414 F439 V575 A626	L413-R578 CarbonylContact C-O 3.56Å; L413-R578 WeakPolarHBondContact CA-O 3.46Å; E414-R578 HydrophobicContact CB-CB 4.48Å; E414-R578 PolarHBondContact N-O 3.32Å; E414-R578 PolarHBondContact O-N 2.84Å; E414-R578 VanDerWaalsContact O-N 3.13Å; F439-R578 HydrophobicContact CD1-CG 4.05Å; F439-R578 HydrophobicContact CD2-CB 4.42Å; F439-R578 HydrophobicContact CD2-CG 4.16Å; F439-R578 HydrophobicContact CE1-CG 4.27Å; F439-R578 VanDerWaalsContact CE1-NE 3.29Å; F439-R578 VanDerWaalsContact CE1-NH1 3.29Å; F439-R578 HydrophobicContact CE2-CG 4.35Å; F439-R578 HydrophobicContact CG-CG 4.02Å; F439-R578 HydrophobicContact CZ-CG 4.42Å; V575-R578 HydrophobicContact CG1-CG 3.86Å; R578-A626 HydrophobicContact CG-CB 4.02Å
579	L	95.2	Very high	95.3	Very high	60 Å²	60	49.1 Å²	49.1	31%	0.314	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.6	163.2	-64.7	177.5	0	0	0	108.7	P411 L413 G581 V585 L589	P411-L579 HydrophobicContact CB-CD2 3.95Å; P411-L579 HydrophobicContact CG-CD2 4.34Å; L413-L579 HydrophobicContact CD2-CD2 4.05Å; L579-G581 PolarHBondContact O-N 3.23Å; L579-V585 HydrophobicContact CB-CG1 4.24Å; L579-V585 HydrophobicContact CB-CG2 4.43Å; L579-L589 HydrophobicContact CD1-CD1 4.02Å
580	L	95.2	Very high	95.2	Very high	44 Å²	44	50.1 Å²	50.1	23%	0.23	28%	0.284	C	S	.	.			trans	-58.9	129.8	169.3	-177.9	68.7	0	0	0	108.5	K412 V423 D582	K412-L580 HydrophobicContact CB-CB 3.9Å; K412-L580 HydrophobicContact CB-CD2 3.81Å; K412-L580 HydrophobicContact CD-CD2 3.93Å; K412-L580 HydrophobicContact CG-CD2 4.38Å; K412-L580 WeakPolarHBondContact O-CB 3.21Å; K412-L580 PolarHBondContact O-N 3.39Å; V423-L580 HydrophobicContact CG1-CD2 4.26Å; V423-L580 HydrophobicContact CG2-CD1 4.01Å; L580-D582 PolarHBondContact O-N 3.31Å
581	G	92.6	Very high	95.1	Very high	33 Å²	33	49.9 Å²	49.9	34%	0.34	29%	0.285	S	S	.	.			trans	-71.9	58.4	176.3	0	0	0	0	0	113	L579 K586	L579-G581 PolarHBondContact O-N 3.23Å; G581-K586 WeakPolarHBondContact O-CD 3.21Å; G581-K586 WeakPolarHBondContact O-CE 2.74Å; G581-K586 PolarHBondContact O-NZ 3.43Å
582	D	93.6	Very high	95.1	Very high	48 Å²	48	53.2 Å²	53.2	26%	0.257	30%	0.296	S	S	.	.			trans	-69.4	167	172.1	77.6	27.2	0	0	0	111	L580 F584 V585 K586	L580-D582 PolarHBondContact O-N 3.31Å; D582-F584 PolarHBondContact O-N 2.94Å; D582-F584 VanDerWaalsContact O-N 3.15Å; D582-F584 WeakPolarHBondContact OD1-CA 3.27Å; D582-F584 WeakPolarHBondContact OD1-CB 3.31Å; D582-F584 PolarHBondContact OD1-N 2.9Å; D582-V585 PolarHBondContact O-N 3.41Å; D582-V585 PolarHBondContact OD1-N 2.83Å; D582-K586 WeakPolarHBondContact O-CB 3.46Å; D582-K586 WeakPolarHBondContact O-CG 3.36Å; D582-K586 PolarHBondContact O-N 2.64Å
583	P	95.3	Very high	95	Very high	112 Å²	112	53.3 Å²	53.3	73%	0.727	30%	0.297	S	S	*	.	H	α-helix	trans	-57	-30.3	-178.2	-27.7	36.3	0	0	0	114.4	A587	P583-A587 WeakPolarHBondContact O-CB 3.22Å; P583-A587 PolarHBondContact O-N 3.23Å
584	F	93.1	Very high	95.2	Very high	120 Å²	120	51.1 Å²	51.1	53%	0.526	27%	0.274	S	S	.	.	H	α-helix	trans	-75.5	-47.7	179.9	176.9	-94.1	0	0	0	111.4	D582 K586 A587 N588	D582-F584 PolarHBondContact O-N 2.94Å; D582-F584 VanDerWaalsContact O-N 3.15Å; D582-F584 WeakPolarHBondContact OD1-CA 3.27Å; D582-F584 WeakPolarHBondContact OD1-CB 3.31Å; D582-F584 PolarHBondContact OD1-N 2.9Å; F584-K586 VanDerWaalsContact C-N 3.28Å; F584-K586 PolarHBondContact O-N 3.16Å; F584-A587 PolarHBondContact O-N 3.47Å; F584-N588 WeakPolarHBondContact CD2-ND2 3.2Å; F584-N588 WeakPolarHBondContact CE2-ND2 3.41Å; F584-N588 WeakPolarHBondContact O-CB 3.25Å; F584-N588 PolarHBondContact O-N 2.89Å; F584-N588 VanDerWaalsContact O-N 3.07Å; F584-N588 PolarHBondContact O-ND2 3.49Å
585	V	94.9	Very high	95.3	Very high	13 Å²	13	50.8 Å²	50.8	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-43	174.6	171.5	0	0	0	0	110	L579 D582 L589 T590	L579-V585 HydrophobicContact CB-CG1 4.24Å; L579-V585 HydrophobicContact CB-CG2 4.43Å; D582-V585 PolarHBondContact O-N 3.41Å; D582-V585 PolarHBondContact OD1-N 2.83Å; V585-L589 HydrophobicContact CG1-CD1 4.33Å; V585-L589 WeakPolarHBondContact O-CA 3.28Å; V585-L589 VanDerWaalsContact O-CB 3.25Å; V585-L589 WeakPolarHBondContact O-CB 3.49Å; V585-L589 PolarHBondContact O-N 3.02Å; V585-T590 HydrophobicContact CG1-CG2 4.47Å; V585-T590 PolarHBondContact O-N 3.34Å
586	K	95.9	Very high	95.4	Very high	94 Å²	94	51.8 Å²	51.8	41%	0.409	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-56.3	176.7	-78.8	178.9	172.5	172.5	0	112.7	G581 D582 F584 N588 T590 D591	G581-K586 WeakPolarHBondContact O-CD 3.21Å; G581-K586 WeakPolarHBondContact O-CE 2.74Å; G581-K586 PolarHBondContact O-NZ 3.43Å; D582-K586 WeakPolarHBondContact O-CB 3.46Å; D582-K586 WeakPolarHBondContact O-CG 3.36Å; D582-K586 PolarHBondContact O-N 2.64Å; F584-K586 VanDerWaalsContact C-N 3.28Å; F584-K586 PolarHBondContact O-N 3.16Å; K586-N588 PolarHBondContact O-N 2.88Å; K586-T590 WeakPolarHBondContact CA-OG1 3.49Å; K586-D591 WeakPolarHBondContact CB-OD2 3.48Å; K586-D591 VanDerWaalsContact O-CB 3.25Å; K586-D591 WeakPolarHBondContact O-CB 3.32Å; K586-D591 PolarHBondContact O-N 3.1Å
587	A	95.3	Very high	95.5	Very high	48 Å²	48	51 Å²	51	40%	0.397	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-24.9	-175.7	0	0	0	0	0	114.4	P583 F584 R592	P583-A587 WeakPolarHBondContact O-CB 3.22Å; P583-A587 PolarHBondContact O-N 3.23Å; F584-A587 PolarHBondContact O-N 3.47Å; A587-R592 WeakPolarHBondContact O-CD 3.34Å; A587-R592 WeakPolarHBondContact O-CG 3.25Å; A587-R592 PolarHBondContact O-NE 2.78Å
588	N	93.3	Very high	95.5	Very high	63 Å²	63	50.5 Å²	50.5	34%	0.337	28%	0.275	S	S	.	.	H	α-helix	trans	-112.7	-12.8	-174.8	-63.9	-82	0	0	0	114.5	F584 K586 T594 Q666	F584-N588 WeakPolarHBondContact CD2-ND2 3.2Å; F584-N588 WeakPolarHBondContact CE2-ND2 3.41Å; F584-N588 WeakPolarHBondContact O-CB 3.25Å; F584-N588 PolarHBondContact O-N 2.89Å; F584-N588 VanDerWaalsContact O-N 3.07Å; F584-N588 PolarHBondContact O-ND2 3.49Å; K586-N588 PolarHBondContact O-N 2.88Å; N588-T594 PolarHBondContact O-OG1 2.91Å; N588-Q666 PolarHBondContact O-NE2 3.1Å
589	L	95.7	Very high	95.5	Very high	34 Å²	34	48.8 Å²	48.8	18%	0.178	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-74.5	-179.4	-61.2	175.7	0	0	0	111.3	L579 V585 R592 D593 T594 V596 I668	L579-L589 HydrophobicContact CD1-CD1 4.02Å; V585-L589 HydrophobicContact CG1-CD1 4.33Å; V585-L589 WeakPolarHBondContact O-CA 3.28Å; V585-L589 VanDerWaalsContact O-CB 3.25Å; V585-L589 WeakPolarHBondContact O-CB 3.49Å; V585-L589 PolarHBondContact O-N 3.02Å; L589-R592 PolarHBondContact O-N 2.84Å; L589-D593 PolarHBondContact O-N 3.34Å; L589-T594 VanDerWaalsContact CA-OG1 3.31Å; L589-T594 WeakPolarHBondContact CA-OG1 3.48Å; L589-T594 HydrophobicContact CD2-CG2 3.91Å; L589-T594 VanDerWaalsContact O-CB 3.32Å; L589-T594 WeakPolarHBondContact O-CB 3.5Å; L589-T594 PolarHBondContact O-N 3.4Å; L589-T594 VanDerWaalsContact O-N 3.11Å; L589-T594 PolarHBondContact O-OG1 3.05Å; L589-V596 HydrophobicContact CD2-CG2 4.39Å; L589-I668 HydrophobicContact CD2-CD1 4.43Å
590	T	95.3	Very high	95.3	Very high	21 Å²	21	49.3 Å²	49.3	13%	0.129	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-69.3	-46.3	-166.6	61.2	0	0	0	0	112.9	V585 K586 R592 D593 Y624	V585-T590 HydrophobicContact CG1-CG2 4.47Å; V585-T590 PolarHBondContact O-N 3.34Å; K586-T590 WeakPolarHBondContact CA-OG1 3.49Å; T590-R592 PolarHBondContact O-N 3.1Å; T590-D593 PolarHBondContact O-N 2.89Å; T590-D593 VanDerWaalsContact O-N 3.17Å; T590-Y624 HydrophobicContact CG2-CD1 4.06Å
591	D	95.6	Very high	94.8	Very high	113 Å²	113	47.9 Å²	47.9	60%	0.604	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-77.2	-9.8	-173.3	-59.5	0.2	0	0	0	112.1	K586	K586-D591 WeakPolarHBondContact CB-OD2 3.48Å; K586-D591 VanDerWaalsContact O-CB 3.25Å; K586-D591 WeakPolarHBondContact O-CB 3.32Å; K586-D591 PolarHBondContact O-N 3.1Å
592	R	94.8	Very high	94.5	Very high	136 Å²	136	50.5 Å²	50.5	51%	0.513	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-101.7	6.3	174.2	-67.9	-168.1	176.5	-158.7	-2.9	113.5	A587 L589 T590 T594 G665 Q666	A587-R592 WeakPolarHBondContact O-CD 3.34Å; A587-R592 WeakPolarHBondContact O-CG 3.25Å; A587-R592 PolarHBondContact O-NE 2.78Å; L589-R592 PolarHBondContact O-N 2.84Å; T590-R592 PolarHBondContact O-N 3.1Å; R592-T594 VanDerWaalsContact C-N 3.34Å; R592-T594 PolarHBondContact O-N 3.07Å; R592-G665 VanDerWaalsContact O-CA 3.29Å; R592-G665 WeakPolarHBondContact O-CA 3.33Å; R592-G665 PolarHBondContact O-N 3.39Å; R592-Q666 HydrophobicContact CB-CG 3.98Å; R592-Q666 VanDerWaalsContact CD-CD 3.41Å; R592-Q666 VanDerWaalsContact NH1-OE1 3.07Å
593	D	96.5	Very high	93.9	Very high	31 Å²	31	51.1 Å²	51.1	17%	0.166	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	57	-175.8	-64.3	-37.9	0	0	0	110.8	L589 T590 F656 P664 G665	L589-D593 PolarHBondContact O-N 3.34Å; T590-D593 PolarHBondContact O-N 2.89Å; T590-D593 VanDerWaalsContact O-N 3.17Å; D593-F656 HydrophobicContact CB-CE1 4.13Å; D593-F656 HydrophobicContact CB-CZ 4.05Å; D593-P664 CarbonylContact O-C 3.59Å; D593-P664 WeakPolarHBondContact O-CA 3.36Å; D593-P664 WeakPolarHBondContact O-CB 3.27Å; D593-G665 PolarHBondContact O-N 2.92Å
594	T	98.1	Very high	93.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.6	-168.2	-55.8	0	0	0	0	112.7	N588 L589 R592 V596 N620 Q666 I668	N588-T594 PolarHBondContact O-OG1 2.91Å; L589-T594 VanDerWaalsContact CA-OG1 3.31Å; L589-T594 WeakPolarHBondContact CA-OG1 3.48Å; L589-T594 HydrophobicContact CD2-CG2 3.91Å; L589-T594 VanDerWaalsContact O-CB 3.32Å; L589-T594 WeakPolarHBondContact O-CB 3.5Å; L589-T594 PolarHBondContact O-N 3.4Å; L589-T594 VanDerWaalsContact O-N 3.11Å; L589-T594 PolarHBondContact O-OG1 3.05Å; R592-T594 VanDerWaalsContact C-N 3.34Å; R592-T594 PolarHBondContact O-N 3.07Å; T594-V596 HydrophobicContact CG2-CG2 4.09Å; T594-N620 PolarHBondContact O-ND2 3.24Å; T594-Q666 HydrophobicContact CG2-CG 3.86Å; T594-Q666 VanDerWaalsContact OG1-CG 3.31Å; T594-Q666 WeakPolarHBondContact OG1-CG 3.49Å; T594-Q666 PolarHBondContact OG1-NE2 3.19Å; T594-I668 HydrophobicContact CG2-CD1 3.97Å; T594-I668 HydrophobicContact CG2-CG1 4.1Å
595	L	98.6	Very high	92.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.9	168.5	179.7	60.9	0	0	0	110.2	L597 N620 I653 F656 P664 Q666 I667 I668	L595-L597 HydrophobicContact CD1-CD2 3.94Å; L595-L597 HydrophobicContact CD2-CD1 4.39Å; L595-L597 HydrophobicContact CD2-CD2 3.96Å; L595-L597 HydrophobicContact CD2-CG 4.25Å; L595-L597 HydrophobicContact CG-CD2 3.78Å; L595-L597 HydrophobicContact CG-CG 3.97Å; L595-N620 VanDerWaalsContact CD1-O 3.3Å; L595-N620 WeakPolarHBondContact CD1-O 3.49Å; L595-I653 HydrophobicContact CD2-CB 4.44Å; L595-I653 HydrophobicContact CD2-CG1 3.72Å; L595-F656 HydrophobicContact CD1-CB 4.22Å; L595-F656 HydrophobicContact CD1-CD2 4.13Å; L595-F656 HydrophobicContact CD1-CG 4.43Å; L595-P664 HydrophobicContact CB-CB 3.64Å; L595-P664 HydrophobicContact CB-CG 3.68Å; L595-P664 HydrophobicContact CD2-CB 4.49Å; L595-P664 HydrophobicContact CD2-CG 3.78Å; L595-P664 HydrophobicContact CG-CG 4.33Å; L595-Q666 PolarHBondContact N-O 3.08Å; L595-I667 HydrophobicContact CB-CG1 4.35Å; L595-I667 CarbonylContact O-C 3.53Å; L595-I667 VanDerWaalsContact O-CA 3.24Å; L595-I667 WeakPolarHBondContact O-CA 3.28Å; L595-I668 PolarHBondContact O-N 3.4Å
596	V	98.3	Very high	91.1	Very high	24 Å²	24	50.7 Å²	50.7	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.4	171.8	-173.7	0	0	0	0	109.1	L589 T594 G619 N620 I668 F670	L589-V596 HydrophobicContact CD2-CG2 4.39Å; T594-V596 HydrophobicContact CG2-CG2 4.09Å; V596-G619 VanDerWaalsContact O-CA 3.32Å; V596-G619 WeakPolarHBondContact O-CA 3.43Å; V596-N620 WeakPolarHBondContact CA-OD1 3.24Å; V596-N620 PolarHBondContact N-OD1 3.03Å; V596-N620 PolarHBondContact O-N 2.92Å; V596-N620 PolarHBondContact O-OD1 3.25Å; V596-I668 CarbonylContact C-O 3.52Å; V596-I668 WeakPolarHBondContact CA-O 3.42Å; V596-F670 HydrophobicContact CG1-CD2 4Å; V596-F670 HydrophobicContact CG1-CE2 3.8Å
597	L	98.2	Very high	89.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.5	178.8	-62.1	177.4	0	0	0	111.1	L595 V617 V618 F649 R652 I667 I668 L669 F670 L690	L595-L597 HydrophobicContact CD1-CD2 3.94Å; L595-L597 HydrophobicContact CD2-CD1 4.39Å; L595-L597 HydrophobicContact CD2-CD2 3.96Å; L595-L597 HydrophobicContact CD2-CG 4.25Å; L595-L597 HydrophobicContact CG-CD2 3.78Å; L595-L597 HydrophobicContact CG-CG 3.97Å; L597-V617 HydrophobicContact CD2-CG1 4.27Å; L597-V618 CarbonylContact C-O 3.5Å; L597-V618 VanDerWaalsContact CA-O 3.25Å; L597-V618 WeakPolarHBondContact CA-O 3.27Å; L597-F649 HydrophobicContact CD1-CD1 3.78Å; L597-F649 HydrophobicContact CD1-CE1 4.03Å; L597-R652 HydrophobicContact CD2-CB 3.83Å; L597-R652 HydrophobicContact CD2-CG 4.06Å; L597-I667 HydrophobicContact CD1-CG2 3.63Å; L597-I667 HydrophobicContact CG-CG2 4.07Å; L597-I668 PolarHBondContact N-O 3.36Å; L597-L669 HydrophobicContact CB-CB 4.28Å; L597-L669 HydrophobicContact CB-CG 4.17Å; L597-L669 HydrophobicContact CD1-CD1 4.45Å; L597-L669 CarbonylContact O-C 3.56Å; L597-L669 WeakPolarHBondContact O-CA 3.19Å; L597-F670 PolarHBondContact O-N 2.87Å; L597-L690 HydrophobicContact CD1-CD1 4.22Å
598	G	96.2	Very high	88.7	Confident	26 Å²	26	51.2 Å²	51.2	27%	0.268	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.6	167.1	0	0	0	0	0	109.8	V617 V618 F670	G598-V617 CarbonylContact O-C 3.55Å; G598-V617 WeakPolarHBondContact O-CA 3.42Å; G598-V618 PolarHBondContact N-O 2.85Å; G598-V618 PolarHBondContact O-N 2.79Å; G598-F670 WeakPolarHBondContact CA-O 3.47Å
599	V	93.4	Very high	87.6	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.6	177.7	-177.5	0	0	0	0	109.1	V616 V617 L645 F649 L669 F670 R671 D672	V599-V616 WeakPolarHBondContact CA-O 3.47Å; V599-V617 HydrophobicContact CG2-CG1 4.32Å; V599-V617 HydrophobicContact CG2-CG2 4.14Å; V599-L645 HydrophobicContact CG1-CD2 4.31Å; V599-F649 HydrophobicContact CG2-CE1 3.87Å; V599-F649 HydrophobicContact CG2-CZ 4.16Å; V599-L669 HydrophobicContact CG2-CD1 4.19Å; V599-L669 HydrophobicContact CG2-CD2 4.22Å; V599-L669 HydrophobicContact CG2-CG 4.21Å; V599-F670 PolarHBondContact N-O 3.33Å; V599-R671 WeakPolarHBondContact O-CD 2.99Å; V599-D672 PolarHBondContact O-N 3.46Å
600	D	91	Very high	86.9	Confident	70 Å²	70	56.7 Å²	56.7	37%	0.374	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.8	177.6	-165.7	11.9	0	0	0	110.9	V616	D600-V616 PolarHBondContact N-O 3.04Å; D600-V616 VanDerWaalsContact N-O 3.1Å; D600-V616 PolarHBondContact O-N 3.19Å
601	V	85.8	Confident	86.4	Confident	14 Å²	14	57.9 Å²	57.9	9%	0.085	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.9	177	-177.6	0	0	0	0	108.8	V614 V642	V601-V614 WeakPolarHBondContact CA-O 3.45Å; V601-V642 HydrophobicContact CG2-CG2 3.36Å
602	T	85.8	Confident	86	Confident	88 Å²	88	55.7 Å²	55.7	54%	0.54	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.9	173.8	-62.5	0	0	0	0	110.1	S613 V614	T602-S613 WeakPolarHBondContact O-CA 3.27Å; T602-V614 PolarHBondContact N-O 3.46Å; T602-V614 PolarHBondContact O-N 3.03Å
603	H	82.1	Confident	85.6	Confident	62 Å²	62	49.2 Å²	49.2	29%	0.287	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-98.6	148	173.4	-65.4	-55.5	0	0	0	111.8	S613 E640	H603-S613 WeakPolarHBondContact ND1-CB 3.39Å; H603-S613 PolarHBondContact ND1-OG 3.16Å; H603-E640 IonicContact CD2-OE1 3.72Å; H603-E640 IonicContact NE2-OE1 2.66Å; H603-E640 PolarHBondContact NE2-OE1 3.25Å
604	P	78.8	Confident	85.2	Confident	18 Å²	18	49.6 Å²	49.6	12%	0.117	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-65.8	160.9	171.8	32.1	-38.6	0	0	0	111.3	D608 S611	P604-D608 HydrophobicContact CB-CB 4.21Å; P604-S611 WeakPolarHBondContact CG-O 3.29Å
605	P	74.6	Confident	84.7	Confident	90 Å²	90	49.6 Å²	49.6	58%	0.584	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-53.2	149.8	175.4	-24.5	34	0	0	0	112.4	A607 D608	P605-A607 PolarHBondContact O-N 3.02Å; P605-D608 HydrophobicContact CB-CB 4.49Å; P605-D608 PolarHBondContact O-N 3.44Å
606	V	70	Confident	84.5	Confident	127 Å²	127	51.1 Å²	51.1	77%	0.77	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.1	-176.5	179.1	0	0	0	0	113.4	R638	V606-R638 PolarHBondContact O-NH2 3.41Å
607	A	68.4	Low	84.4	Confident	103 Å²	103	50 Å²	50	85%	0.851	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.5	179.4	0	0	0	0	0	114.3	P605	P605-A607 PolarHBondContact O-N 3.02Å
608	D	72.9	Confident	84.4	Confident	50 Å²	50	52.5 Å²	52.5	27%	0.267	33%	0.33	S	S	.	.			trans	-89.7	111.4	176.1	-176.5	-19.1	0	0	0	108.3	P604 P605 D610 S611	P604-D608 HydrophobicContact CB-CB 4.21Å; P605-D608 HydrophobicContact CB-CB 4.49Å; P605-D608 PolarHBondContact O-N 3.44Å; D608-D610 PolarHBondContact OD1-N 3.01Å; D608-S611 VanDerWaalsContact CG-OG 3.32Å; D608-S611 PolarHBondContact OD1-N 2.98Å; D608-S611 PolarHBondContact OD1-OG 3.21Å; D608-S611 VanDerWaalsContact OD2-CB 3.28Å; D608-S611 WeakPolarHBondContact OD2-CB 3.41Å; D608-S611 PolarHBondContact OD2-OG 3.37Å
609	S	70.3	Confident	84.5	Confident	71 Å²	71	51.3 Å²	51.3	50%	0.497	32%	0.318	S	S	.	.	S	Bend	trans	-87.9	-14.5	-177.6	49.9	0	0	0	0	114.4	K637	S609-K637 WeakPolarHBondContact O-CD 3.33Å; S609-K637 PolarHBondContact O-NZ 3Å
610	D	80.5	Confident	84.7	Confident	142 Å²	142	51.2 Å²	51.2	76%	0.759	32%	0.317	S	S	*	.	S	Bend	trans	-113.9	-29.8	-157.3	-54.2	-21.3	0	0	0	111.5	D608	D608-D610 PolarHBondContact OD1-N 3.01Å
611	S	84.5	Confident	85	Confident	46 Å²	46	49.3 Å²	49.3	32%	0.322	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-67.7	143	-179.6	-68.6	0	0	0	0	113	P604 D608	P604-S611 WeakPolarHBondContact CG-O 3.29Å; D608-S611 VanDerWaalsContact CG-OG 3.32Å; D608-S611 PolarHBondContact OD1-N 2.98Å; D608-S611 PolarHBondContact OD1-OG 3.21Å; D608-S611 VanDerWaalsContact OD2-CB 3.28Å; D608-S611 WeakPolarHBondContact OD2-CB 3.41Å; D608-S611 PolarHBondContact OD2-OG 3.37Å
612	P	87	Confident	85.4	Confident	66 Å²	66	49.2 Å²	49.2	43%	0.429	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-73.7	167.3	176.3	32	-35.8	0	0	0	111.9	T634 Q635	P612-T634 HydrophobicContact CG-CG2 4.4Å; P612-Q635 WeakPolarHBondContact CB-O 3.4Å
613	S	86.4	Confident	85.9	Confident	0 Å²	0	46 Å²	46	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	152.2	164.7	-56	0	0	0	0	109.8	T602 H603 Q635 R638	T602-S613 WeakPolarHBondContact O-CA 3.27Å; H603-S613 WeakPolarHBondContact ND1-CB 3.39Å; H603-S613 PolarHBondContact ND1-OG 3.16Å; S613-Q635 PolarHBondContact N-O 3.15Å; S613-Q635 VanDerWaalsContact N-O 3.13Å; S613-Q635 PolarHBondContact O-N 2.77Å; S613-R638 PolarHBondContact OG-N 2.74Å
614	V	88.5	Confident	86.5	Confident	40 Å²	40	48.7 Å²	48.7	24%	0.242	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.5	-178.8	-176.5	0	0	0	0	108.9	V601 T602 V616 M632 R633 T634	V601-V614 WeakPolarHBondContact CA-O 3.45Å; T602-V614 PolarHBondContact N-O 3.46Å; T602-V614 PolarHBondContact O-N 3.03Å; V614-V616 HydrophobicContact CG1-CG2 4.17Å; V614-M632 HydrophobicContact CG1-CG 3.55Å; V614-M632 HydrophobicContact CG1-SD 3.94Å; V614-R633 WeakPolarHBondContact CA-O 3.38Å; V614-T634 HydrophobicContact CG2-CG2 4.42Å
615	G	88.6	Confident	87.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.4	171.4	0	0	0	0	0	110.4	R633	G615-R633 PolarHBondContact N-O 3.28Å; G615-R633 PolarHBondContact O-N 3.09Å
616	V	93.4	Very high	88.2	Confident	31 Å²	31	46 Å²	46	19%	0.188	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.8	177.8	-173.3	0	0	0	0	110.3	V599 D600 V614 V618 A630 S631 M632	V599-V616 WeakPolarHBondContact CA-O 3.47Å; D600-V616 PolarHBondContact N-O 3.04Å; D600-V616 VanDerWaalsContact N-O 3.1Å; D600-V616 PolarHBondContact O-N 3.19Å; V614-V616 HydrophobicContact CG1-CG2 4.17Å; V616-V618 HydrophobicContact CG1-CG2 3.9Å; V616-A630 HydrophobicContact CG1-CB 3.93Å; V616-S631 CarbonylContact C-O 3.46Å; V616-S631 VanDerWaalsContact CA-O 3.32Å; V616-S631 WeakPolarHBondContact CA-O 3.5Å; V616-M632 HydrophobicContact CG2-CB 4.3Å; V616-M632 HydrophobicContact CG2-CE 4.44Å; V616-M632 HydrophobicContact CG2-CG 4.07Å
617	V	95.7	Very high	89.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.3	166.2	-175.5	0	0	0	0	108.8	L597 G598 V599 A630 S631 L645 E648 F649 R652	L597-V617 HydrophobicContact CD2-CG1 4.27Å; G598-V617 CarbonylContact O-C 3.55Å; G598-V617 WeakPolarHBondContact O-CA 3.42Å; V599-V617 HydrophobicContact CG2-CG1 4.32Å; V599-V617 HydrophobicContact CG2-CG2 4.14Å; V617-A630 CarbonylContact O-C 3.57Å; V617-A630 WeakPolarHBondContact O-CA 3.38Å; V617-S631 PolarHBondContact N-O 3.01Å; V617-S631 PolarHBondContact O-N 2.89Å; V617-L645 HydrophobicContact CG2-CD2 4.18Å; V617-E648 HydrophobicContact CB-CB 4.05Å; V617-E648 HydrophobicContact CG2-CB 3.63Å; V617-E648 HydrophobicContact CG2-CG 4.43Å; V617-F649 HydrophobicContact CG1-CD1 3.88Å; V617-F649 HydrophobicContact CG1-CE1 3.95Å; V617-F649 HydrophobicContact CG2-CD1 4.42Å; V617-F649 HydrophobicContact CG2-CE1 4.2Å; V617-R652 HydrophobicContact CB-CG 4.48Å; V617-R652 HydrophobicContact CG1-CG 3.81Å
618	V	97.7	Very high	90.8	Very high	54 Å²	54	44.4 Å²	44.4	33%	0.327	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.7	174	-176.1	0	0	0	0	108.5	L597 G598 V616 Y628 A629 A630	L597-V618 CarbonylContact C-O 3.5Å; L597-V618 VanDerWaalsContact CA-O 3.25Å; L597-V618 WeakPolarHBondContact CA-O 3.27Å; G598-V618 PolarHBondContact N-O 2.85Å; G598-V618 PolarHBondContact O-N 2.79Å; V616-V618 HydrophobicContact CG1-CG2 3.9Å; V618-Y628 HydrophobicContact CG1-CD1 4.01Å; V618-Y628 HydrophobicContact CG1-CG 4.46Å; V618-A629 WeakPolarHBondContact CA-O 3.49Å; V618-A630 HydrophobicContact CG2-CB 4.01Å
619	G	98.2	Very high	91.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.2	174.6	0	0	0	0	0	111.8	V596 Y628 A629	V596-G619 VanDerWaalsContact O-CA 3.32Å; V596-G619 WeakPolarHBondContact O-CA 3.43Å; G619-Y628 VanDerWaalsContact C-CD1 3.48Å; G619-Y628 WeakPolarHBondContact O-CA 3.34Å; G619-A629 PolarHBondContact N-O 2.81Å; G619-A629 PolarHBondContact O-N 2.88Å
620	N	98	Very high	93.1	Very high	2 Å²	2	43 Å²	43	1%	0.011	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	146.8	169.3	59.8	-61.4	0	0	0	110.6	T594 L595 V596 D622 C625 E627 Y628	T594-N620 PolarHBondContact O-ND2 3.24Å; L595-N620 VanDerWaalsContact CD1-O 3.3Å; L595-N620 WeakPolarHBondContact CD1-O 3.49Å; V596-N620 WeakPolarHBondContact CA-OD1 3.24Å; V596-N620 PolarHBondContact N-OD1 3.03Å; V596-N620 PolarHBondContact O-N 2.92Å; V596-N620 PolarHBondContact O-OD1 3.25Å; N620-D622 PolarHBondContact ND2-O 3.05Å; N620-C625 HydrophobicContact CB-CB 4.46Å; N620-E627 CarbonylContact C-O 3.13Å; N620-E627 WeakPolarHBondContact CA-O 3.46Å; N620-Y628 HydrophobicContact CB-CD1 4.09Å; N620-Y628 HydrophobicContact CB-CE1 3.8Å; N620-Y628 HydrophobicContact CB-CE2 4.45Å
621	V	97.4	Very high	93.8	Very high	30 Å²	30	36.3 Å²	36.3	18%	0.182	21%	0.208	C	C	.	.	S	Bend	trans	-98.6	-37.6	177.3	178.5	0	0	0	0	110	E627 A629 A659 N660	V621-E627 HydrophobicContact CB-CB 4.48Å; V621-E627 PolarHBondContact N-O 2.96Å; V621-A629 HydrophobicContact CG2-CB 3.8Å; V621-A659 HydrophobicContact CG1-CB 3.5Å; V621-N660 PolarHBondContact O-ND2 2.71Å
622	D	95.6	Very high	94.1	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.07	22%	0.22	C	C	.	.	S	Bend	trans	-98.9	157.6	-179.5	73.4	-45.6	0	0	0	112.4	N620 Y624 C625 A626 E627	N620-D622 PolarHBondContact ND2-O 3.05Å; D622-Y624 PolarHBondContact O-N 3.04Å; D622-Y624 VanDerWaalsContact OD2-CB 3.27Å; D622-Y624 WeakPolarHBondContact OD2-CB 3.34Å; D622-Y624 PolarHBondContact OD2-N 2.86Å; D622-C625 PolarHBondContact O-N 3.31Å; D622-A626 PolarHBondContact OD1-N 2.87Å; D622-A626 WeakPolarHBondContact OD2-CB 3.28Å; D622-A626 PolarHBondContact OD2-N 3.21Å; D622-E627 PolarHBondContact OD1-N 3.49Å
623	V	95.7	Very high	94.3	Very high	21 Å²	21	40.3 Å²	40.3	13%	0.127	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.2	176.7	-63.9	0	0	0	0	114.2	C625 F656 N660	V623-C625 VanDerWaalsContact C-N 3.3Å; V623-F656 HydrophobicContact CG1-CE2 4.41Å; V623-F656 HydrophobicContact CG1-CZ 3.88Å; V623-N660 HydrophobicContact CG1-CB 4.18Å; V623-N660 PolarHBondContact N-OD1 3.25Å
624	Y	94.7	Very high	94.3	Very high	118 Å²	118	44.7 Å²	44.7	46%	0.463	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.7	-178.8	-48.5	-78.9	0	0	0	113.4	T590 D622 A626	T590-Y624 HydrophobicContact CG2-CD1 4.06Å; D622-Y624 PolarHBondContact O-N 3.04Å; D622-Y624 VanDerWaalsContact OD2-CB 3.27Å; D622-Y624 WeakPolarHBondContact OD2-CB 3.34Å; D622-Y624 PolarHBondContact OD2-N 2.86Å; Y624-A626 PolarHBondContact O-N 3.03Å
625	C	94.9	Very high	94	Very high	21 Å²	21	43.1 Å²	43.1	14%	0.142	23%	0.23	C	C	.	.	S	Bend	trans	55	38.2	-178.1	-59.5	0	0	0	0	112.5	N620 D622 V623 Y628	N620-C625 HydrophobicContact CB-CB 4.46Å; D622-C625 PolarHBondContact O-N 3.31Å; V623-C625 VanDerWaalsContact C-N 3.3Å; C625-Y628 WeakPolarHBondContact O-CE2 3.34Å; C625-Y628 PolarHBondContact O-OH 3.47Å
626	A	94.5	Very high	93.4	Very high	30 Å²	30	46.8 Å²	46.8	25%	0.248	25%	0.254	C	S	.	.			trans	-107.4	-27.1	-175.6	0	0	0	0	0	112.7	V575 R578 D622 Y624	V575-A626 HydrophobicContact CG1-CB 3.79Å; V575-A626 HydrophobicContact CG2-CB 4.34Å; R578-A626 HydrophobicContact CG-CB 4.02Å; D622-A626 PolarHBondContact OD1-N 2.87Å; D622-A626 WeakPolarHBondContact OD2-CB 3.28Å; D622-A626 PolarHBondContact OD2-N 3.21Å; Y624-A626 PolarHBondContact O-N 3.03Å
627	E	95.1	Very high	92.3	Very high	75 Å²	75	49.3 Å²	49.3	35%	0.35	26%	0.263	S	S	.	.			trans	-114.6	130.7	179.5	-65.9	178.5	-144.2	0	0	109.6	V575 N620 V621 D622	V575-E627 HydrophobicContact CG2-CG 4.03Å; N620-E627 CarbonylContact C-O 3.13Å; N620-E627 WeakPolarHBondContact CA-O 3.46Å; V621-E627 HydrophobicContact CB-CB 4.48Å; V621-E627 PolarHBondContact N-O 2.96Å; D622-E627 PolarHBondContact OD1-N 3.49Å
628	Y	96.3	Very high	90.7	Very high	121 Å²	121	55.2 Å²	55.2	48%	0.475	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.8	-178.3	-70.4	-101.3	0	0	0	111	V618 G619 N620 C625	V618-Y628 HydrophobicContact CG1-CD1 4.01Å; V618-Y628 HydrophobicContact CG1-CG 4.46Å; G619-Y628 VanDerWaalsContact C-CD1 3.48Å; G619-Y628 WeakPolarHBondContact O-CA 3.34Å; N620-Y628 HydrophobicContact CB-CD1 4.09Å; N620-Y628 HydrophobicContact CB-CE1 3.8Å; N620-Y628 HydrophobicContact CB-CE2 4.45Å; C625-Y628 WeakPolarHBondContact O-CE2 3.34Å; C625-Y628 PolarHBondContact O-OH 3.47Å
629	A	96	Very high	89	Confident	36 Å²	36	55.9 Å²	55.9	30%	0.298	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153.5	172.8	0	0	0	0	0	110.3	V618 G619 V621 R652	V618-A629 WeakPolarHBondContact CA-O 3.49Å; G619-A629 PolarHBondContact N-O 2.81Å; G619-A629 PolarHBondContact O-N 2.88Å; V621-A629 HydrophobicContact CG2-CB 3.8Å; A629-R652 PolarHBondContact O-NH1 3.41Å
630	A	96	Very high	87.1	Confident	56 Å²	56	58.1 Å²	58.1	46%	0.463	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.1	176.3	0	0	0	0	0	113.2	V616 V617 V618 R652	V616-A630 HydrophobicContact CG1-CB 3.93Å; V617-A630 CarbonylContact O-C 3.57Å; V617-A630 WeakPolarHBondContact O-CA 3.38Å; V618-A630 HydrophobicContact CG2-CB 4.01Å; A630-R652 VanDerWaalsContact CA-NH1 3.34Å; A630-R652 PolarHBondContact O-NH1 3.24Å; A630-R652 VanDerWaalsContact O-NH1 3.1Å
631	S	95.3	Very high	85.4	Confident	2 Å²	2	60 Å²	60	1%	0.014	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.2	160.4	-70.2	0	0	0	0	107.3	V616 V617 E651 R652	V616-S631 CarbonylContact C-O 3.46Å; V616-S631 VanDerWaalsContact CA-O 3.32Å; V616-S631 WeakPolarHBondContact CA-O 3.5Å; V617-S631 PolarHBondContact N-O 3.01Å; V617-S631 PolarHBondContact O-N 2.89Å; S631-E651 VanDerWaalsContact CB-OE2 3.3Å; S631-E651 WeakPolarHBondContact CB-OE2 3.3Å; S631-E651 PolarHBondContact OG-OE2 3.02Å; S631-R652 PolarHBondContact OG-NE 3.05Å; S631-R652 PolarHBondContact OG-NH2 3.06Å
632	M	91.5	Very high	83.7	Confident	119 Å²	119	58.8 Å²	58.8	59%	0.586	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.6	-175.5	177.7	-174.1	-51.1	0	0	110.3	V614 V616	V614-M632 HydrophobicContact CG1-CG 3.55Å; V614-M632 HydrophobicContact CG1-SD 3.94Å; V616-M632 HydrophobicContact CG2-CB 4.3Å; V616-M632 HydrophobicContact CG2-CE 4.44Å; V616-M632 HydrophobicContact CG2-CG 4.07Å
633	R	89.7	Confident	82.3	Confident	76 Å²	76	62.4 Å²	62.4	29%	0.287	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145.7	174.8	-62.7	-65.8	-174	-82.1	-3.1	112	V614 G615 Y644 E648 E651	V614-R633 WeakPolarHBondContact CA-O 3.38Å; G615-R633 PolarHBondContact N-O 3.28Å; G615-R633 PolarHBondContact O-N 3.09Å; R633-Y644 HydrophobicContact CB-CD2 3.73Å; R633-Y644 HydrophobicContact CB-CE2 4.41Å; R633-Y644 HydrophobicContact CG-CD2 3.9Å; R633-Y644 HydrophobicContact CG-CG 4.24Å; R633-E648 HydrophobicContact CG-CG 4.08Å; R633-E648 VanDerWaalsContact CG-OE1 3.26Å; R633-E648 WeakPolarHBondContact CG-OE1 3.43Å; R633-E651 IonicContact CZ-OE1 2.64Å; R633-E651 IonicContact NH1-OE2 3.97Å; R633-E651 IonicContact NH2-OE1 2.85Å; R633-E651 PolarHBondContact NH2-OE1 3.39Å; R633-E651 IonicContact NH2-OE2 3.47Å
634	T	87.7	Confident	81.6	Confident	93 Å²	93	66.4 Å²	66.4	57%	0.571	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	145.6	167.7	52.6	0	0	0	0	109.8	P612 V614	P612-T634 HydrophobicContact CG-CG2 4.4Å; V614-T634 HydrophobicContact CG2-CG2 4.42Å
635	Q	81	Confident	81.2	Confident	6 Å²	6	61 Å²	61	3%	0.028	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.9	177.5	65.4	-171.9	57.2	0	0	111.7	P612 S613 L639 S641 L643	P612-Q635 WeakPolarHBondContact CB-O 3.4Å; S613-Q635 PolarHBondContact N-O 3.15Å; S613-Q635 VanDerWaalsContact N-O 3.13Å; S613-Q635 PolarHBondContact O-N 2.77Å; Q635-L639 PolarHBondContact NE2-O 2.81Å; Q635-S641 PolarHBondContact NE2-O 2.79Å; Q635-L643 HydrophobicContact CB-CD1 4.09Å; Q635-L643 HydrophobicContact CB-CG 4.35Å
636	P	77.5	Confident	81.1	Confident	77 Å²	77	64 Å²	64	50%	0.5	33%	0.325	S	S	.	.	S	Bend	trans	-55.8	150.1	175.5	-18.4	30.4	0	0	0	111.1	L639 L643	P636-L639 HydrophobicContact CB-CD1 3.87Å; P636-L639 HydrophobicContact CG-CD1 4.25Å; P636-L643 HydrophobicContact CG-CD1 4.16Å
637	K	69.1	Low	81	Confident	84 Å²	84	66.3 Å²	66.3	37%	0.365	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	136.8	-167.8	175.8	-179.1	177.9	-169.6	0	113.8	S609 L639	S609-K637 WeakPolarHBondContact O-CD 3.33Å; S609-K637 PolarHBondContact O-NZ 3Å; K637-L639 PolarHBondContact O-N 2.88Å
638	R	63.2	Low	81	Confident	125 Å²	125	62.8 Å²	62.8	47%	0.472	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	19.6	168.2	-67.7	-177.7	-170.4	-179	7.8	115.3	V606 S613	V606-R638 PolarHBondContact O-NH2 3.41Å; S613-R638 PolarHBondContact OG-N 2.74Å
639	L	62.5	Low	81	Confident	68 Å²	68	57 Å²	57	36%	0.356	29%	0.293	S	S	.	.			trans	-75.2	120.9	161.8	-83	143.3	0	0	0	108.3	Q635 P636 K637 S641	Q635-L639 PolarHBondContact NE2-O 2.81Å; P636-L639 HydrophobicContact CB-CD1 3.87Å; P636-L639 HydrophobicContact CG-CD1 4.25Å; K637-L639 PolarHBondContact O-N 2.88Å; L639-S641 VanDerWaalsContact C-N 3.28Å; L639-S641 VanDerWaalsContact CD2-OG 3.25Å; L639-S641 WeakPolarHBondContact CD2-OG 3.49Å
640	E	58.2	Low	81.1	Confident	48 Å²	48	56.9 Å²	56.9	22%	0.224	29%	0.287	C	S	.	.	S	Bend	trans	-75	-22.7	167.8	-81.8	-71.2	167.8	0	0	111.8	H603 V642 R671	H603-E640 IonicContact CD2-OE1 3.72Å; H603-E640 IonicContact NE2-OE1 2.66Å; H603-E640 PolarHBondContact NE2-OE1 3.25Å; E640-V642 PolarHBondContact O-N 3.47Å; E640-R671 IonicContact OE2-CZ 2.69Å; E640-R671 IonicContact OE2-NH1 3.49Å; E640-R671 IonicContact OE2-NH2 3.83Å; E640-R671 PolarHBondContact OE2-NH2 3.15Å
641	S	62.4	Low	81.1	Confident	40 Å²	40	57 Å²	57	28%	0.28	28%	0.279	S	S	.	.	S	Bend	trans	-73	112.4	172.8	58.5	0	0	0	0	109.4	Q635 L639 L643	Q635-S641 PolarHBondContact NE2-O 2.79Å; L639-S641 VanDerWaalsContact C-N 3.28Å; L639-S641 VanDerWaalsContact CD2-OG 3.25Å; L639-S641 WeakPolarHBondContact CD2-OG 3.49Å; S641-L643 PolarHBondContact O-N 2.84Å
642	V	59.8	Low	81.3	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.03	28%	0.283	C	S	.	.			trans	-71.7	119.6	172.2	176.8	0	0	0	0	108.3	V601 E640 Y644 L645 E648	V601-V642 HydrophobicContact CG2-CG2 3.36Å; E640-V642 PolarHBondContact O-N 3.47Å; V642-Y644 PolarHBondContact O-N 2.92Å; V642-L645 HydrophobicContact CB-CD1 3.88Å; V642-L645 HydrophobicContact CB-CD2 3.58Å; V642-L645 HydrophobicContact CB-CG 3.46Å; V642-L645 VanDerWaalsContact CB-CG 3.46Å; V642-L645 HydrophobicContact CG1-CD2 3.62Å; V642-L645 HydrophobicContact CG1-CG 3.65Å; V642-L645 HydrophobicContact CG2-CD2 4.27Å; V642-L645 WeakPolarHBondContact O-CD1 3.4Å; V642-L645 WeakPolarHBondContact O-CG 3.32Å; V642-E648 WeakPolarHBondContact CG1-OE2 3.49Å
643	L	67.2	Low	81.6	Confident	89 Å²	89	52.5 Å²	52.5	47%	0.466	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-33.6	-169.7	-70.7	177.8	0	0	0	113.1	Q635 P636 S641	Q635-L643 HydrophobicContact CB-CD1 4.09Å; Q635-L643 HydrophobicContact CB-CG 4.35Å; P636-L643 HydrophobicContact CG-CD1 4.16Å; S641-L643 PolarHBondContact O-N 2.84Å
644	Y	80.8	Confident	82	Confident	106 Å²	106	52.4 Å²	52.4	42%	0.416	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	22.5	-169.8	-55	-74.8	0	0	0	113.2	R633 V642 K646 D647 E648	R633-Y644 HydrophobicContact CB-CD2 3.73Å; R633-Y644 HydrophobicContact CB-CE2 4.41Å; R633-Y644 HydrophobicContact CG-CD2 3.9Å; R633-Y644 HydrophobicContact CG-CG 4.24Å; V642-Y644 PolarHBondContact O-N 2.92Å; Y644-K646 VanDerWaalsContact C-N 3.26Å; Y644-K646 PolarHBondContact O-N 2.97Å; Y644-K646 VanDerWaalsContact O-N 3.16Å; Y644-D647 PolarHBondContact O-N 2.72Å; Y644-E648 PolarHBondContact O-N 3.05Å
645	L	87.3	Confident	82.5	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-55	-39.5	-172.3	-78.3	168.2	0	0	0	113.9	V599 V617 V642 D647 E648 F649 K686 A689	V599-L645 HydrophobicContact CG1-CD2 4.31Å; V617-L645 HydrophobicContact CG2-CD2 4.18Å; V642-L645 HydrophobicContact CB-CD1 3.88Å; V642-L645 HydrophobicContact CB-CD2 3.58Å; V642-L645 HydrophobicContact CB-CG 3.46Å; V642-L645 VanDerWaalsContact CB-CG 3.46Å; V642-L645 HydrophobicContact CG1-CD2 3.62Å; V642-L645 HydrophobicContact CG1-CG 3.65Å; V642-L645 HydrophobicContact CG2-CD2 4.27Å; V642-L645 WeakPolarHBondContact O-CD1 3.4Å; V642-L645 WeakPolarHBondContact O-CG 3.32Å; L645-D647 VanDerWaalsContact C-N 3.3Å; L645-D647 PolarHBondContact O-N 3.04Å; L645-E648 PolarHBondContact O-N 3.23Å; L645-F649 HydrophobicContact CB-CD2 4.13Å; L645-F649 HydrophobicContact CB-CE2 3.83Å; L645-F649 HydrophobicContact CD2-CE2 3.99Å; L645-F649 HydrophobicContact CD2-CZ 3.86Å; L645-F649 HydrophobicContact CG-CE2 4.35Å; L645-F649 VanDerWaalsContact O-CB 3.31Å; L645-F649 WeakPolarHBondContact O-CB 3.41Å; L645-F649 WeakPolarHBondContact O-CD2 3.38Å; L645-F649 WeakPolarHBondContact O-CG 3.35Å; L645-F649 PolarHBondContact O-N 2.7Å; L645-K686 HydrophobicContact CD1-CB 4.34Å; L645-K686 HydrophobicContact CD1-CD 4.48Å; L645-K686 HydrophobicContact CD1-CG 3.68Å; L645-A689 HydrophobicContact CB-CB 3.67Å; L645-A689 HydrophobicContact CD1-CB 4.46Å
646	K	92	Very high	83.3	Confident	86 Å²	86	49 Å²	49	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-47.8	179.5	-178.3	-174.4	173	-175.8	0	110.5	Y644 L650 S692 A693	Y644-K646 VanDerWaalsContact C-N 3.26Å; Y644-K646 PolarHBondContact O-N 2.97Å; Y644-K646 VanDerWaalsContact O-N 3.16Å; K646-L650 VanDerWaalsContact O-CB 3.27Å; K646-L650 WeakPolarHBondContact O-CB 3.49Å; K646-L650 PolarHBondContact O-N 3.28Å; K646-S692 VanDerWaalsContact CE-OG 3.3Å; K646-S692 WeakPolarHBondContact CE-OG 3.36Å; K646-A693 HydrophobicContact CG-CB 4.15Å; K646-A693 WeakPolarHBondContact O-CB 3.41Å
647	D	93.1	Very high	84.2	Confident	78 Å²	78	46.2 Å²	46.2	42%	0.417	22%	0.224	S	C	.	.	H	α-helix	trans	-70.1	-41.9	-178.2	-59.1	-23.7	0	0	0	111	Y644 L645 F649 L650 E651	Y644-D647 PolarHBondContact O-N 2.72Å; L645-D647 VanDerWaalsContact C-N 3.3Å; L645-D647 PolarHBondContact O-N 3.04Å; D647-F649 PolarHBondContact O-N 3.36Å; D647-L650 PolarHBondContact O-N 3.3Å; D647-E651 WeakPolarHBondContact O-CB 3.39Å; D647-E651 WeakPolarHBondContact O-CG 3.5Å; D647-E651 PolarHBondContact O-N 3.1Å
648	E	94.8	Very high	85.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-41.3	177.3	-65.1	-180	130.6	0	0	112	V617 R633 V642 Y644 L645 E651 R652	V617-E648 HydrophobicContact CB-CB 4.05Å; V617-E648 HydrophobicContact CG2-CB 3.63Å; V617-E648 HydrophobicContact CG2-CG 4.43Å; R633-E648 HydrophobicContact CG-CG 4.08Å; R633-E648 VanDerWaalsContact CG-OE1 3.26Å; R633-E648 WeakPolarHBondContact CG-OE1 3.43Å; V642-E648 WeakPolarHBondContact CG1-OE2 3.49Å; Y644-E648 PolarHBondContact O-N 3.05Å; L645-E648 PolarHBondContact O-N 3.23Å; E648-E651 PolarHBondContact O-N 3.22Å; E648-R652 WeakPolarHBondContact O-CG 3.33Å; E648-R652 PolarHBondContact O-N 3.29Å; E648-R652 VanDerWaalsContact O-N 3.11Å
649	F	97	Very high	87.2	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-44.2	172.8	-68.9	-41.4	0	0	0	111.6	L597 V599 V617 L645 D647 E651 R652 I653 L669 A689 L690 A693	L597-F649 HydrophobicContact CD1-CD1 3.78Å; L597-F649 HydrophobicContact CD1-CE1 4.03Å; V599-F649 HydrophobicContact CG2-CE1 3.87Å; V599-F649 HydrophobicContact CG2-CZ 4.16Å; V617-F649 HydrophobicContact CG1-CD1 3.88Å; V617-F649 HydrophobicContact CG1-CE1 3.95Å; V617-F649 HydrophobicContact CG2-CD1 4.42Å; V617-F649 HydrophobicContact CG2-CE1 4.2Å; L645-F649 HydrophobicContact CB-CD2 4.13Å; L645-F649 HydrophobicContact CB-CE2 3.83Å; L645-F649 HydrophobicContact CD2-CE2 3.99Å; L645-F649 HydrophobicContact CD2-CZ 3.86Å; L645-F649 HydrophobicContact CG-CE2 4.35Å; L645-F649 VanDerWaalsContact O-CB 3.31Å; L645-F649 WeakPolarHBondContact O-CB 3.41Å; L645-F649 WeakPolarHBondContact O-CD2 3.38Å; L645-F649 WeakPolarHBondContact O-CG 3.35Å; L645-F649 PolarHBondContact O-N 2.7Å; D647-F649 PolarHBondContact O-N 3.36Å; F649-E651 VanDerWaalsContact C-N 3.33Å; F649-E651 PolarHBondContact O-N 3.19Å; F649-R652 PolarHBondContact O-N 2.85Å; F649-I653 WeakPolarHBondContact O-CB 3.41Å; F649-I653 WeakPolarHBondContact O-CD1 3.36Å; F649-I653 VanDerWaalsContact O-CG1 3.23Å; F649-I653 WeakPolarHBondContact O-CG1 3.46Å; F649-I653 PolarHBondContact O-N 3.13Å; F649-L669 HydrophobicContact CE1-CD1 3.65Å; F649-L669 HydrophobicContact CZ-CD1 3.59Å; F649-A689 HydrophobicContact CD2-CB 4.35Å; F649-A689 HydrophobicContact CE2-CB 4.21Å; F649-L690 HydrophobicContact CB-CD1 3.94Å; F649-L690 HydrophobicContact CD1-CD1 4.06Å; F649-L690 HydrophobicContact CD2-CB 3.76Å; F649-L690 HydrophobicContact CD2-CD1 4.02Å; F649-L690 HydrophobicContact CD2-CG 4.5Å; F649-L690 HydrophobicContact CE2-CB 3.78Å; F649-L690 HydrophobicContact CG-CB 4.38Å; F649-L690 HydrophobicContact CG-CD1 3.75Å; F649-L690 HydrophobicContact CZ-CB 4.42Å; F649-A693 HydrophobicContact CB-CB 3.87Å
650	L	96.5	Very high	88.8	Confident	33 Å²	33	43.4 Å²	43.4	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-45	177.5	-176.2	61.9	0	0	0	111.1	K646 D647 R652 I653 M654 A693 L697	K646-L650 VanDerWaalsContact O-CB 3.27Å; K646-L650 WeakPolarHBondContact O-CB 3.49Å; K646-L650 PolarHBondContact O-N 3.28Å; D647-L650 PolarHBondContact O-N 3.3Å; L650-R652 PolarHBondContact O-N 3.27Å; L650-I653 PolarHBondContact O-N 3.31Å; L650-M654 HydrophobicContact CD1-CG 4.3Å; L650-M654 HydrophobicContact CD1-SD 4.41Å; L650-M654 HydrophobicContact CG-CE 3.98Å; L650-M654 HydrophobicContact CG-SD 4.28Å; L650-M654 WeakPolarHBondContact O-CB 3.3Å; L650-M654 VanDerWaalsContact O-CG 3.29Å; L650-M654 WeakPolarHBondContact O-CG 3.39Å; L650-M654 PolarHBondContact O-N 2.84Å; L650-A693 HydrophobicContact CB-CB 4.27Å; L650-L697 HydrophobicContact CD1-CD1 3.91Å; L650-L697 HydrophobicContact CD1-CD2 3.51Å; L650-L697 HydrophobicContact CD1-CG 3.52Å
651	E	97.3	Very high	90.6	Very high	59 Å²	59	48.3 Å²	48.3	28%	0.276	26%	0.258	S	S	.	.	H	α-helix	trans	-58.4	-43.8	175.1	-76.6	175.9	-173.8	0	0	112.4	S631 R633 D647 E648 F649 A655	S631-E651 VanDerWaalsContact CB-OE2 3.3Å; S631-E651 WeakPolarHBondContact CB-OE2 3.3Å; S631-E651 PolarHBondContact OG-OE2 3.02Å; R633-E651 IonicContact CZ-OE1 2.64Å; R633-E651 IonicContact NH1-OE2 3.97Å; R633-E651 IonicContact NH2-OE1 2.85Å; R633-E651 PolarHBondContact NH2-OE1 3.39Å; R633-E651 IonicContact NH2-OE2 3.47Å; D647-E651 WeakPolarHBondContact O-CB 3.39Å; D647-E651 WeakPolarHBondContact O-CG 3.5Å; D647-E651 PolarHBondContact O-N 3.1Å; E648-E651 PolarHBondContact O-N 3.22Å; F649-E651 VanDerWaalsContact C-N 3.33Å; F649-E651 PolarHBondContact O-N 3.19Å; E651-A655 VanDerWaalsContact O-CB 3.29Å; E651-A655 WeakPolarHBondContact O-CB 3.47Å; E651-A655 PolarHBondContact O-N 2.82Å
652	R	97.9	Very high	92.1	Very high	27 Å²	27	54.1 Å²	54.1	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-42.8	177.5	-65.9	-49	81.5	167.5	4	112.2	L597 V617 A629 A630 S631 E648 F649 L650 M654 A655 F656	L597-R652 HydrophobicContact CD2-CB 3.83Å; L597-R652 HydrophobicContact CD2-CG 4.06Å; V617-R652 HydrophobicContact CB-CG 4.48Å; V617-R652 HydrophobicContact CG1-CG 3.81Å; A629-R652 PolarHBondContact O-NH1 3.41Å; A630-R652 VanDerWaalsContact CA-NH1 3.34Å; A630-R652 PolarHBondContact O-NH1 3.24Å; A630-R652 VanDerWaalsContact O-NH1 3.1Å; S631-R652 PolarHBondContact OG-NE 3.05Å; S631-R652 PolarHBondContact OG-NH2 3.06Å; E648-R652 WeakPolarHBondContact O-CG 3.33Å; E648-R652 PolarHBondContact O-N 3.29Å; E648-R652 VanDerWaalsContact O-N 3.11Å; F649-R652 PolarHBondContact O-N 2.85Å; L650-R652 PolarHBondContact O-N 3.27Å; R652-M654 VanDerWaalsContact C-N 3.34Å; R652-M654 PolarHBondContact O-N 3.03Å; R652-A655 PolarHBondContact O-N 2.81Å; R652-F656 PolarHBondContact O-N 2.96Å
653	I	98.2	Very high	93.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-44.1	177.1	-66.6	163.3	0	0	0	110.3	L595 F649 L650 A657 P664 I667 L690 A693 L697 Y701	L595-I653 HydrophobicContact CD2-CB 4.44Å; L595-I653 HydrophobicContact CD2-CG1 3.72Å; F649-I653 WeakPolarHBondContact O-CB 3.41Å; F649-I653 WeakPolarHBondContact O-CD1 3.36Å; F649-I653 VanDerWaalsContact O-CG1 3.23Å; F649-I653 WeakPolarHBondContact O-CG1 3.46Å; F649-I653 PolarHBondContact O-N 3.13Å; L650-I653 PolarHBondContact O-N 3.31Å; I653-A657 VanDerWaalsContact O-CB 3.29Å; I653-A657 WeakPolarHBondContact O-CB 3.38Å; I653-A657 PolarHBondContact O-N 3.24Å; I653-P664 HydrophobicContact CG2-CG 4.34Å; I653-I667 HydrophobicContact CD1-CD1 4.32Å; I653-I667 HydrophobicContact CG1-CD1 4.45Å; I653-L690 HydrophobicContact CD1-CD1 4.31Å; I653-A693 HydrophobicContact CD1-CB 4.38Å; I653-L697 HydrophobicContact CB-CD1 4.36Å; I653-L697 HydrophobicContact CG2-CD1 3.44Å; I653-L697 VanDerWaalsContact CG2-CD1 3.44Å; I653-Y701 HydrophobicContact CG2-CE1 4.25Å
654	M	98	Very high	95.3	Very high	73 Å²	73	54.4 Å²	54.4	36%	0.36	27%	0.269	S	S	.	.	H	α-helix	trans	-68.2	-39.8	177.4	-70.8	-170.8	-55.2	0	0	112.4	L650 R652 F656 A657 N658 L697	L650-M654 HydrophobicContact CD1-CG 4.3Å; L650-M654 HydrophobicContact CD1-SD 4.41Å; L650-M654 HydrophobicContact CG-CE 3.98Å; L650-M654 HydrophobicContact CG-SD 4.28Å; L650-M654 WeakPolarHBondContact O-CB 3.3Å; L650-M654 VanDerWaalsContact O-CG 3.29Å; L650-M654 WeakPolarHBondContact O-CG 3.39Å; L650-M654 PolarHBondContact O-N 2.84Å; R652-M654 VanDerWaalsContact C-N 3.34Å; R652-M654 PolarHBondContact O-N 3.03Å; M654-F656 VanDerWaalsContact C-N 3.33Å; M654-F656 PolarHBondContact O-N 2.82Å; M654-A657 PolarHBondContact O-N 2.78Å; M654-N658 VanDerWaalsContact O-CB 3.28Å; M654-N658 WeakPolarHBondContact O-CB 3.4Å; M654-N658 PolarHBondContact O-N 2.78Å; M654-N658 PolarHBondContact O-ND2 2.84Å; M654-L697 HydrophobicContact CG-CD2 4.12Å; M654-L697 HydrophobicContact SD-CD2 4.39Å
655	A	98	Very high	96.1	Very high	29 Å²	29	51.5 Å²	51.5	24%	0.24	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-45.9	176	0	0	0	0	0	111.4	E651 R652 A659	E651-A655 VanDerWaalsContact O-CB 3.29Å; E651-A655 WeakPolarHBondContact O-CB 3.47Å; E651-A655 PolarHBondContact O-N 2.82Å; R652-A655 PolarHBondContact O-N 2.81Å; A655-A659 WeakPolarHBondContact O-CB 3.38Å; A655-A659 PolarHBondContact O-N 2.78Å
656	F	98.5	Very high	96.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-47.9	172.8	-177.6	-79.2	0	0	0	111.6	D593 L595 V623 R652 M654 N658 A659 N660 P664	D593-F656 HydrophobicContact CB-CE1 4.13Å; D593-F656 HydrophobicContact CB-CZ 4.05Å; L595-F656 HydrophobicContact CD1-CB 4.22Å; L595-F656 HydrophobicContact CD1-CD2 4.13Å; L595-F656 HydrophobicContact CD1-CG 4.43Å; V623-F656 HydrophobicContact CG1-CE2 4.41Å; V623-F656 HydrophobicContact CG1-CZ 3.88Å; R652-F656 PolarHBondContact O-N 2.96Å; M654-F656 VanDerWaalsContact C-N 3.33Å; M654-F656 PolarHBondContact O-N 2.82Å; F656-N658 VanDerWaalsContact C-N 3.33Å; F656-N658 PolarHBondContact O-N 2.94Å; F656-A659 PolarHBondContact O-N 3.2Å; F656-N660 HydrophobicContact CE1-CB 4.39Å; F656-N660 PolarHBondContact O-N 3.17Å; F656-N660 PolarHBondContact O-ND2 2.73Å; F656-P664 HydrophobicContact CB-CG 4.36Å; F656-P664 HydrophobicContact CD1-CB 4.33Å; F656-P664 HydrophobicContact CD1-CG 3.57Å; F656-P664 HydrophobicContact CE1-CB 4.27Å; F656-P664 HydrophobicContact CE1-CG 4Å; F656-P664 HydrophobicContact CG-CG 4Å
657	A	97.5	Very high	96.8	Very high	18 Å²	18	48.5 Å²	48.5	15%	0.149	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-39.8	-176.2	0	0	0	0	0	112.9	I653 M654 N661 R662 R663	I653-A657 VanDerWaalsContact O-CB 3.29Å; I653-A657 WeakPolarHBondContact O-CB 3.38Å; I653-A657 PolarHBondContact O-N 3.24Å; M654-A657 PolarHBondContact O-N 2.78Å; A657-N661 WeakPolarHBondContact O-CA 3.47Å; A657-N661 PolarHBondContact O-N 2.82Å; A657-R662 VanDerWaalsContact CA-O 3.3Å; A657-R662 WeakPolarHBondContact CA-O 3.22Å; A657-R662 PolarHBondContact O-N 3.28Å; A657-R663 HydrophobicContact CB-CG 4.27Å
658	N	97.5	Very high	97	Very high	127 Å²	127	46.4 Å²	46.4	68%	0.679	25%	0.247	S	C	*	.	H	α-helix	trans	-68.8	-38.3	178.3	-67.7	-16.6	0	0	0	111.8	M654 F656	M654-N658 VanDerWaalsContact O-CB 3.28Å; M654-N658 WeakPolarHBondContact O-CB 3.4Å; M654-N658 PolarHBondContact O-N 2.78Å; M654-N658 PolarHBondContact O-ND2 2.84Å; F656-N658 VanDerWaalsContact C-N 3.33Å; F656-N658 PolarHBondContact O-N 2.94Å
659	A	96.7	Very high	97.1	Very high	56 Å²	56	46.4 Å²	46.4	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-71.4	-32.9	179.3	0	0	0	0	0	112.9	V621 A655 F656	V621-A659 HydrophobicContact CG1-CB 3.5Å; A655-A659 WeakPolarHBondContact O-CB 3.38Å; A655-A659 PolarHBondContact O-N 2.78Å; F656-A659 PolarHBondContact O-N 3.2Å
660	N	96.6	Very high	97.1	Very high	34 Å²	34	50.5 Å²	50.5	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-109.6	-1.3	-173.1	-54.3	-70.8	0	0	0	113.9	V621 V623 F656 R662	V621-N660 PolarHBondContact O-ND2 2.71Å; V623-N660 HydrophobicContact CG1-CB 4.18Å; V623-N660 PolarHBondContact N-OD1 3.25Å; F656-N660 HydrophobicContact CE1-CB 4.39Å; F656-N660 PolarHBondContact O-N 3.17Å; F656-N660 PolarHBondContact O-ND2 2.73Å; N660-R662 PolarHBondContact O-N 2.87Å; N660-R662 VanDerWaalsContact O-N 3.11Å
661	N	95.6	Very high	96.8	Very high	151 Å²	151	49 Å²	49	81%	0.807	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	22.4	-172.3	-62.7	-59.4	0	0	0	114.4	A657	A657-N661 WeakPolarHBondContact O-CA 3.47Å; A657-N661 PolarHBondContact O-N 2.82Å
662	R	94.6	Very high	96.3	Very high	162 Å²	162	47.9 Å²	47.9	61%	0.611	25%	0.252	S	S	*	.	S	Bend	trans	-149	139.6	179.6	-62.5	-171.3	-166.8	117.4	5.4	110.2	A657 N660	A657-R662 VanDerWaalsContact CA-O 3.3Å; A657-R662 WeakPolarHBondContact CA-O 3.22Å; A657-R662 PolarHBondContact O-N 3.28Å; N660-R662 PolarHBondContact O-N 2.87Å; N660-R662 VanDerWaalsContact O-N 3.11Å
663	R	95.9	Very high	95.3	Very high	101 Å²	101	48.4 Å²	48.4	38%	0.381	27%	0.266	S	S	.	.			trans	-70.9	151.1	174.6	-64.6	176.2	-176.4	163.8	-6.6	110	A657 G665 L697 N698 Y701	A657-R663 HydrophobicContact CB-CG 4.27Å; R663-G665 PolarHBondContact O-N 3.38Å; R663-L697 PolarHBondContact NH2-O 2.86Å; R663-L697 VanDerWaalsContact NH2-O 3.08Å; R663-N698 VanDerWaalsContact NH1-CB 3.28Å; R663-Y701 HydrophobicContact CB-CE2 4.03Å
664	P	97.8	Very high	94.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.			trans	-56.1	129.6	176.3	-20.7	27.4	0	0	0	112.2	D593 L595 I653 F656 Q666 I667 Y701	D593-P664 CarbonylContact O-C 3.59Å; D593-P664 WeakPolarHBondContact O-CA 3.36Å; D593-P664 WeakPolarHBondContact O-CB 3.27Å; L595-P664 HydrophobicContact CB-CB 3.64Å; L595-P664 HydrophobicContact CB-CG 3.68Å; L595-P664 HydrophobicContact CD2-CB 4.49Å; L595-P664 HydrophobicContact CD2-CG 3.78Å; L595-P664 HydrophobicContact CG-CG 4.33Å; I653-P664 HydrophobicContact CG2-CG 4.34Å; F656-P664 HydrophobicContact CB-CG 4.36Å; F656-P664 HydrophobicContact CD1-CB 4.33Å; F656-P664 HydrophobicContact CD1-CG 3.57Å; F656-P664 HydrophobicContact CE1-CB 4.27Å; F656-P664 HydrophobicContact CE1-CG 4Å; F656-P664 HydrophobicContact CG-CG 4Å; P664-Q666 VanDerWaalsContact C-N 3.35Å; P664-I667 HydrophobicContact CB-CG1 4.38Å; P664-Y701 WeakPolarHBondContact CD-OH 3.5Å; P664-Y701 VanDerWaalsContact O-CE2 3.3Å; P664-Y701 WeakPolarHBondContact O-CE2 3.41Å; P664-Y701 PolarHBondContact O-OH 3.25Å
665	G	96.7	Very high	93.3	Very high	44 Å²	44	48.3 Å²	48.3	45%	0.454	27%	0.272	S	S	.	.	S	Bend	trans	-74.9	-29.2	175.3	0	0	0	0	0	112.3	R592 D593 R663 P703	R592-G665 VanDerWaalsContact O-CA 3.29Å; R592-G665 WeakPolarHBondContact O-CA 3.33Å; R592-G665 PolarHBondContact O-N 3.39Å; D593-G665 PolarHBondContact O-N 2.92Å; R663-G665 PolarHBondContact O-N 3.38Å; G665-P703 WeakPolarHBondContact O-CB 3.45Å
666	Q	97.2	Very high	92.2	Very high	26 Å²	26	52.2 Å²	52.2	12%	0.121	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.5	174.5	65	178	10.7	0	0	111.8	N588 R592 T594 L595 P664 G704	N588-Q666 PolarHBondContact O-NE2 3.1Å; R592-Q666 HydrophobicContact CB-CG 3.98Å; R592-Q666 VanDerWaalsContact CD-CD 3.41Å; R592-Q666 VanDerWaalsContact NH1-OE1 3.07Å; T594-Q666 HydrophobicContact CG2-CG 3.86Å; T594-Q666 VanDerWaalsContact OG1-CG 3.31Å; T594-Q666 WeakPolarHBondContact OG1-CG 3.49Å; T594-Q666 PolarHBondContact OG1-NE2 3.19Å; L595-Q666 PolarHBondContact N-O 3.08Å; P664-Q666 VanDerWaalsContact C-N 3.35Å; Q666-G704 CarbonylContact C-O 3.17Å; Q666-G704 VanDerWaalsContact CA-O 3.32Å; Q666-G704 WeakPolarHBondContact CA-O 3.24Å
667	I	98.3	Very high	90.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.2	-178.3	-54	-179.2	0	0	0	109.4	L595 L597 I653 P664 L690 P703 G704 I705 T706	L595-I667 HydrophobicContact CB-CG1 4.35Å; L595-I667 CarbonylContact O-C 3.53Å; L595-I667 VanDerWaalsContact O-CA 3.24Å; L595-I667 WeakPolarHBondContact O-CA 3.28Å; L597-I667 HydrophobicContact CD1-CG2 3.63Å; L597-I667 HydrophobicContact CG-CG2 4.07Å; I653-I667 HydrophobicContact CD1-CD1 4.32Å; I653-I667 HydrophobicContact CG1-CD1 4.45Å; P664-I667 HydrophobicContact CB-CG1 4.38Å; I667-L690 HydrophobicContact CD1-CD1 4.07Å; I667-L690 HydrophobicContact CG2-CD2 4.14Å; I667-P703 HydrophobicContact CD1-CG 3.82Å; I667-P703 HydrophobicContact CG1-CB 4.36Å; I667-P703 HydrophobicContact CG1-CG 4.15Å; I667-G704 PolarHBondContact N-O 2.8Å; I667-I705 HydrophobicContact CB-CG1 4.37Å; I667-I705 CarbonylContact O-C 3.51Å; I667-I705 WeakPolarHBondContact O-CA 3.17Å; I667-T706 PolarHBondContact O-N 3.08Å
668	I	97.5	Very high	89.9	Confident	35 Å²	35	57.7 Å²	57.7	18%	0.179	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.4	171.3	-56.7	176	0	0	0	107.4	L589 T594 L595 V596 L597 F670 T706	L589-I668 HydrophobicContact CD2-CD1 4.43Å; T594-I668 HydrophobicContact CG2-CD1 3.97Å; T594-I668 HydrophobicContact CG2-CG1 4.1Å; L595-I668 PolarHBondContact O-N 3.4Å; V596-I668 CarbonylContact C-O 3.52Å; V596-I668 WeakPolarHBondContact CA-O 3.42Å; L597-I668 PolarHBondContact N-O 3.36Å; I668-F670 HydrophobicContact CG2-CD2 4.27Å; I668-F670 HydrophobicContact CG2-CE2 3.65Å; I668-F670 HydrophobicContact CG2-CZ 4.01Å; I668-T706 CarbonylContact C-O 3.58Å; I668-T706 WeakPolarHBondContact CA-O 3.29Å
669	L	96.6	Very high	89.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.7	-178	-174.7	161.1	0	0	0	110.6	L597 V599 F649 R671 L690 T706 Y707 V708	L597-L669 HydrophobicContact CB-CB 4.28Å; L597-L669 HydrophobicContact CB-CG 4.17Å; L597-L669 HydrophobicContact CD1-CD1 4.45Å; L597-L669 CarbonylContact O-C 3.56Å; L597-L669 WeakPolarHBondContact O-CA 3.19Å; V599-L669 HydrophobicContact CG2-CD1 4.19Å; V599-L669 HydrophobicContact CG2-CD2 4.22Å; V599-L669 HydrophobicContact CG2-CG 4.21Å; F649-L669 HydrophobicContact CE1-CD1 3.65Å; F649-L669 HydrophobicContact CZ-CD1 3.59Å; L669-R671 HydrophobicContact CD2-CB 4.11Å; L669-L690 HydrophobicContact CD1-CD2 4.04Å; L669-T706 PolarHBondContact N-O 2.79Å; L669-Y707 HydrophobicContact CB-CD2 4.36Å; L669-Y707 HydrophobicContact CD1-CD2 4.29Å; L669-Y707 HydrophobicContact CD1-CE2 4.22Å; L669-Y707 HydrophobicContact CD2-CD2 3.67Å; L669-Y707 HydrophobicContact CD2-CE2 3.39Å; L669-Y707 HydrophobicContact CD2-CG 4.48Å; L669-Y707 HydrophobicContact CG-CD2 4.32Å; L669-Y707 HydrophobicContact CG-CE2 4.34Å; L669-V708 PolarHBondContact O-N 3.09Å
670	F	95.4	Very high	88.3	Confident	86 Å²	86	58.4 Å²	58.4	38%	0.377	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.6	170.8	-65.7	-86.1	0	0	0	110.6	V596 L597 G598 V599 I668 V708 V710	V596-F670 HydrophobicContact CG1-CD2 4Å; V596-F670 HydrophobicContact CG1-CE2 3.8Å; L597-F670 PolarHBondContact O-N 2.87Å; G598-F670 WeakPolarHBondContact CA-O 3.47Å; V599-F670 PolarHBondContact N-O 3.33Å; I668-F670 HydrophobicContact CG2-CD2 4.27Å; I668-F670 HydrophobicContact CG2-CE2 3.65Å; I668-F670 HydrophobicContact CG2-CZ 4.01Å; F670-V708 CarbonylContact C-O 3.58Å; F670-V708 WeakPolarHBondContact CA-O 3.14Å; F670-V708 HydrophobicContact CD1-CB 3.76Å; F670-V708 HydrophobicContact CD1-CG1 3.78Å; F670-V708 HydrophobicContact CD1-CG2 4.35Å; F670-V708 HydrophobicContact CE1-CB 3.99Å; F670-V708 HydrophobicContact CE1-CG1 3.88Å; F670-V708 HydrophobicContact CE1-CG2 4.13Å; F670-V708 HydrophobicContact CG-CB 4.49Å; F670-V710 HydrophobicContact CB-CG2 4.36Å; F670-V710 HydrophobicContact CD1-CG2 3.82Å
671	R	90.5	Very high	87.5	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115	170.6	-179.7	47.2	162.4	74.5	-0.5	110.3	V599 E640 L669 G673 V674 K686 Y707 V708 V709 V710	V599-R671 WeakPolarHBondContact O-CD 2.99Å; E640-R671 IonicContact OE2-CZ 2.69Å; E640-R671 IonicContact OE2-NH1 3.49Å; E640-R671 IonicContact OE2-NH2 3.83Å; E640-R671 PolarHBondContact OE2-NH2 3.15Å; L669-R671 HydrophobicContact CD2-CB 4.11Å; R671-G673 PolarHBondContact NH1-O 2.94Å; R671-V674 HydrophobicContact CG-CG2 3.58Å; R671-K686 HydrophobicContact CG-CD 4.33Å; R671-K686 VanDerWaalsContact NH2-NZ 3.16Å; R671-Y707 HydrophobicContact CB-CE1 4.5Å; R671-Y707 WeakPolarHBondContact CB-OH 3.24Å; R671-V708 PolarHBondContact N-O 2.81Å; R671-V709 WeakPolarHBondContact O-CA 3.44Å; R671-V710 PolarHBondContact O-N 3.16Å
672	D	86.8	Confident	86.9	Confident	36 Å²	36	56.7 Å²	56.7	19%	0.193	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.4	173	178	30.2	0	0	0	111.3	V599 K712	V599-D672 PolarHBondContact O-N 3.46Å; D672-K712 VanDerWaalsContact CG-NZ 3.29Å; D672-K712 WeakPolarHBondContact OD1-CE 3.29Å; D672-K712 IonicContact OD1-NZ 3.96Å; D672-K712 WeakPolarHBondContact OD2-CE 3.35Å; D672-K712 IonicContact OD2-NZ 3.66Å; D672-K712 PolarHBondContact OD2-NZ 3.19Å
673	G	77.4	Confident	86.5	Confident	38 Å²	38	50 Å²	50	39%	0.392	27%	0.272	S	S	.	.	S	Bend	trans	85.6	41.7	169.4	0	0	0	0	0	114.7	R671	R671-G673 PolarHBondContact NH1-O 2.94Å
674	V	79.1	Confident	86	Confident	9 Å²	9	51 Å²	51	6%	0.055	28%	0.276	C	S	.	.			trans	-115.6	136.6	172.5	-168.9	0	0	0	0	108.1	R671 E678 F679 V682 V709	R671-V674 HydrophobicContact CG-CG2 3.58Å; V674-E678 HydrophobicContact CG1-CB 3.72Å; V674-F679 HydrophobicContact CB-CD1 4.07Å; V674-F679 HydrophobicContact CB-CE1 4.01Å; V674-F679 HydrophobicContact CG1-CD1 3.74Å; V674-F679 HydrophobicContact CG1-CE1 4.16Å; V674-F679 WeakPolarHBondContact O-CE1 3.33Å; V674-V682 HydrophobicContact CG1-CB 4.02Å; V674-V682 HydrophobicContact CG1-CG1 4.24Å; V674-V682 HydrophobicContact CG1-CG2 3.71Å; V674-V682 HydrophobicContact CG2-CG1 3.93Å; V674-V682 HydrophobicContact CG2-CG2 4.44Å; V674-V709 HydrophobicContact CB-CG1 4.44Å
675	S	75.5	Confident	85.4	Confident	61 Å²	61	54.3 Å²	54.3	43%	0.427	30%	0.296	S	S	.	.			trans	-75.5	150.6	170.5	70.5	0	0	0	0	110.8	G677 E678 F679	S675-G677 VanDerWaalsContact C-N 3.27Å; S675-G677 PolarHBondContact O-N 3.4Å; S675-E678 PolarHBondContact N-OE2 3.5Å; S675-E678 PolarHBondContact O-N 3.18Å; S675-E678 VanDerWaalsContact OG-CG 3.31Å; S675-E678 WeakPolarHBondContact OG-CG 3.36Å; S675-E678 PolarHBondContact OG-OE2 2.81Å; S675-F679 WeakPolarHBondContact O-CD1 3.35Å; S675-F679 WeakPolarHBondContact O-CE1 3.38Å; S675-F679 PolarHBondContact O-N 2.78Å
676	E	73.6	Confident	85	Confident	111 Å²	111	52.3 Å²	52.3	52%	0.519	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-54.1	-42.5	-176.9	-166.9	179.6	150.1	0	0	112.8	H157 E678 F679	H157-E676 IonicContact CE1-OE1 2.64Å; E676-E678 PolarHBondContact O-N 3.11Å; E676-E678 VanDerWaalsContact O-N 3.15Å; E676-F679 HydrophobicContact CB-CE2 4.4Å; E676-F679 HydrophobicContact CB-CZ 4.48Å; E676-F679 HydrophobicContact CG-CD2 4.27Å; E676-F679 HydrophobicContact CG-CE2 4.11Å; E676-F679 VanDerWaalsContact O-CB 3.32Å; E676-F679 WeakPolarHBondContact O-CB 3.48Å; E676-F679 VanDerWaalsContact O-CG 3.24Å; E676-F679 WeakPolarHBondContact O-CG 3.34Å; E676-F679 PolarHBondContact O-N 2.96Å; E676-F679 VanDerWaalsContact O-N 3.15Å
677	G	71.3	Confident	84.7	Confident	68 Å²	68	51.6 Å²	51.6	70%	0.701	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-65.6	-15.3	177.5	0	0	0	0	0	115	S675	S675-G677 VanDerWaalsContact C-N 3.27Å; S675-G677 PolarHBondContact O-N 3.4Å
678	E	77.9	Confident	84.3	Confident	65 Å²	65	52.9 Å²	52.9	30%	0.304	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-98.7	-5.1	178.6	-68.6	167.9	150.9	0	0	112.7	V674 S675 E676 R680 Q681 V682	V674-E678 HydrophobicContact CG1-CB 3.72Å; S675-E678 PolarHBondContact N-OE2 3.5Å; S675-E678 PolarHBondContact O-N 3.18Å; S675-E678 VanDerWaalsContact OG-CG 3.31Å; S675-E678 WeakPolarHBondContact OG-CG 3.36Å; S675-E678 PolarHBondContact OG-OE2 2.81Å; E676-E678 PolarHBondContact O-N 3.11Å; E676-E678 VanDerWaalsContact O-N 3.15Å; E678-R680 PolarHBondContact O-N 2.96Å; E678-Q681 PolarHBondContact O-N 2.94Å; E678-V682 HydrophobicContact CB-CG2 4.25Å; E678-V682 VanDerWaalsContact O-CB 3.29Å; E678-V682 WeakPolarHBondContact O-CB 3.5Å; E678-V682 WeakPolarHBondContact O-CG2 3.38Å; E678-V682 PolarHBondContact O-N 3.15Å
679	F	79.6	Confident	84.1	Confident	62 Å²	62	52.1 Å²	52.1	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-53.8	-50.8	-172.2	-77.6	0.3	0	0	0	113.2	V674 S675 E676 V682 L683 V709 Q711	V674-F679 HydrophobicContact CB-CD1 4.07Å; V674-F679 HydrophobicContact CB-CE1 4.01Å; V674-F679 HydrophobicContact CG1-CD1 3.74Å; V674-F679 HydrophobicContact CG1-CE1 4.16Å; V674-F679 WeakPolarHBondContact O-CE1 3.33Å; S675-F679 WeakPolarHBondContact O-CD1 3.35Å; S675-F679 WeakPolarHBondContact O-CE1 3.38Å; S675-F679 PolarHBondContact O-N 2.78Å; E676-F679 HydrophobicContact CB-CE2 4.4Å; E676-F679 HydrophobicContact CB-CZ 4.48Å; E676-F679 HydrophobicContact CG-CD2 4.27Å; E676-F679 HydrophobicContact CG-CE2 4.11Å; E676-F679 VanDerWaalsContact O-CB 3.32Å; E676-F679 WeakPolarHBondContact O-CB 3.48Å; E676-F679 VanDerWaalsContact O-CG 3.24Å; E676-F679 WeakPolarHBondContact O-CG 3.34Å; E676-F679 PolarHBondContact O-N 2.96Å; E676-F679 VanDerWaalsContact O-N 3.15Å; F679-V682 PolarHBondContact O-N 2.94Å; F679-L683 WeakPolarHBondContact O-CB 3.39Å; F679-L683 PolarHBondContact O-N 2.91Å; F679-V709 HydrophobicContact CD1-CG1 4.16Å; F679-V709 HydrophobicContact CE1-CG1 3.5Å; F679-V709 VanDerWaalsContact CE1-CG1 3.5Å; F679-V709 HydrophobicContact CZ-CB 4.44Å; F679-V709 HydrophobicContact CZ-CG1 3.68Å; F679-Q711 HydrophobicContact CZ-CG 3.91Å
680	R	79.8	Confident	84.1	Confident	137 Å²	137	52.1 Å²	52.1	52%	0.517	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-45.5	-178.6	-73.9	-173.7	171	150.5	2.5	112.4	T153 D154 E678 L683 R684	T153-R680 PolarHBondContact OG1-NH1 2.9Å; T153-R680 VanDerWaalsContact OG1-NH1 3.14Å; T153-R680 PolarHBondContact OG1-NH2 2.84Å; D154-R680 IonicContact OD1-NH1 3.39Å; D154-R680 PolarHBondContact OD1-NH1 2.9Å; E678-R680 PolarHBondContact O-N 2.96Å; R680-L683 PolarHBondContact O-N 3.2Å; R680-R684 WeakPolarHBondContact O-CB 3.38Å; R680-R684 PolarHBondContact O-N 2.99Å
681	Q	81.2	Confident	84.1	Confident	137 Å²	137	52.7 Å²	52.7	64%	0.64	28%	0.283	S	S	*	.	H	α-helix	trans	-62.5	-47.7	178.9	-178.2	-178.3	-2.3	0	0	110.5	E678 R684 V685	E678-Q681 PolarHBondContact O-N 2.94Å; Q681-R684 PolarHBondContact O-N 2.93Å; Q681-V685 WeakPolarHBondContact O-CG2 3.21Å; Q681-V685 PolarHBondContact O-N 3.37Å
682	V	82.3	Confident	84.3	Confident	12 Å²	12	54.4 Å²	54.4	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-45.9	179.5	162.4	0	0	0	0	111.4	V674 E678 F679 R684 V685 K686 Y707	V674-V682 HydrophobicContact CG1-CB 4.02Å; V674-V682 HydrophobicContact CG1-CG1 4.24Å; V674-V682 HydrophobicContact CG1-CG2 3.71Å; V674-V682 HydrophobicContact CG2-CG1 3.93Å; V674-V682 HydrophobicContact CG2-CG2 4.44Å; E678-V682 HydrophobicContact CB-CG2 4.25Å; E678-V682 VanDerWaalsContact O-CB 3.29Å; E678-V682 WeakPolarHBondContact O-CB 3.5Å; E678-V682 WeakPolarHBondContact O-CG2 3.38Å; E678-V682 PolarHBondContact O-N 3.15Å; F679-V682 PolarHBondContact O-N 2.94Å; V682-R684 PolarHBondContact O-N 2.93Å; V682-V685 PolarHBondContact O-N 3.18Å; V682-K686 HydrophobicContact CG1-CD 3.63Å; V682-K686 HydrophobicContact CG1-CG 4.22Å; V682-K686 VanDerWaalsContact O-CB 3.3Å; V682-K686 WeakPolarHBondContact O-CB 3.05Å; V682-K686 VanDerWaalsContact O-CG 3.26Å; V682-K686 WeakPolarHBondContact O-CG 3.41Å; V682-K686 PolarHBondContact O-N 3.2Å; V682-Y707 WeakPolarHBondContact CG1-OH 3.42Å
683	L	85.9	Confident	84.7	Confident	20 Å²	20	52.7 Å²	52.7	11%	0.105	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-49.5	176.3	176.4	63.3	0	0	0	110.5	I15 L17 F679 R680 V685 K686 L687 Y707	I15-L683 HydrophobicContact CG2-CD2 3.93Å; I15-L683 HydrophobicContact CG2-CG 4.49Å; L17-L683 HydrophobicContact CD2-CD2 3.55Å; F679-L683 WeakPolarHBondContact O-CB 3.39Å; F679-L683 PolarHBondContact O-N 2.91Å; R680-L683 PolarHBondContact O-N 3.2Å; L683-V685 PolarHBondContact O-N 3.43Å; L683-K686 PolarHBondContact O-N 2.82Å; L683-L687 HydrophobicContact CD1-CB 4.27Å; L683-L687 HydrophobicContact CD1-CD2 4.26Å; L683-L687 WeakPolarHBondContact O-CB 3.43Å; L683-L687 PolarHBondContact O-N 3.37Å; L683-Y707 HydrophobicContact CD1-CD1 3.61Å; L683-Y707 HydrophobicContact CD1-CD2 4.12Å; L683-Y707 HydrophobicContact CD1-CE1 3.97Å; L683-Y707 HydrophobicContact CD1-CE2 4.46Å; L683-Y707 HydrophobicContact CD1-CG 3.7Å
684	R	84.9	Confident	85.7	Confident	124 Å²	124	51 Å²	51	47%	0.468	27%	0.269	S	S	.	.	H	α-helix	trans	-58.4	-49.4	-178.6	-166.7	-178.3	-151.4	175.8	9.9	112	L12 I15 R680 Q681 V682 G688	L12-R684 HydrophobicContact CD1-CG 4.44Å; L12-R684 PolarHBondContact O-NH2 2.92Å; I15-R684 HydrophobicContact CD1-CB 4.32Å; I15-R684 HydrophobicContact CD1-CG 4.29Å; R680-R684 WeakPolarHBondContact O-CB 3.38Å; R680-R684 PolarHBondContact O-N 2.99Å; Q681-R684 PolarHBondContact O-N 2.93Å; V682-R684 PolarHBondContact O-N 2.93Å; R684-G688 PolarHBondContact O-N 3.4Å; R684-G688 VanDerWaalsContact O-N 3.07Å
685	V	85.4	Confident	86.5	Confident	68 Å²	68	55.8 Å²	55.8	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-50	-178.6	173.4	0	0	0	0	111	Q681 V682 L683 G688 A689	Q681-V685 WeakPolarHBondContact O-CG2 3.21Å; Q681-V685 PolarHBondContact O-N 3.37Å; V682-V685 PolarHBondContact O-N 3.18Å; L683-V685 PolarHBondContact O-N 3.43Å; V685-G688 PolarHBondContact O-N 2.93Å; V685-A689 PolarHBondContact O-N 2.95Å
686	K	87.9	Confident	87.5	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-72.2	-43.9	-173.5	-64.1	-172.8	178.7	138.5	0	112.4	L645 R671 V682 L683 G688 A689 L690 Y707	L645-K686 HydrophobicContact CD1-CB 4.34Å; L645-K686 HydrophobicContact CD1-CD 4.48Å; L645-K686 HydrophobicContact CD1-CG 3.68Å; R671-K686 HydrophobicContact CG-CD 4.33Å; R671-K686 VanDerWaalsContact NH2-NZ 3.16Å; V682-K686 HydrophobicContact CG1-CD 3.63Å; V682-K686 HydrophobicContact CG1-CG 4.22Å; V682-K686 VanDerWaalsContact O-CB 3.3Å; V682-K686 WeakPolarHBondContact O-CB 3.05Å; V682-K686 VanDerWaalsContact O-CG 3.26Å; V682-K686 WeakPolarHBondContact O-CG 3.41Å; V682-K686 PolarHBondContact O-N 3.2Å; L683-K686 PolarHBondContact O-N 2.82Å; K686-G688 VanDerWaalsContact C-N 3.32Å; K686-G688 PolarHBondContact O-N 3.21Å; K686-A689 PolarHBondContact O-N 2.96Å; K686-L690 PolarHBondContact O-N 2.85Å; K686-Y707 HydrophobicContact CB-CE2 4.02Å; K686-Y707 WeakPolarHBondContact CD-OH 3.26Å
687	L	90.9	Very high	88.5	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-37.4	176.4	-174.7	61.5	0	0	0	111.3	I15 L683 L690 R691 I705	I15-L687 HydrophobicContact CD1-CD2 4.23Å; I15-L687 HydrophobicContact CG2-CD2 4.31Å; L683-L687 HydrophobicContact CD1-CB 4.27Å; L683-L687 HydrophobicContact CD1-CD2 4.26Å; L683-L687 WeakPolarHBondContact O-CB 3.43Å; L683-L687 PolarHBondContact O-N 3.37Å; L687-L690 PolarHBondContact O-N 2.81Å; L687-R691 HydrophobicContact CD1-CG 4.38Å; L687-R691 HydrophobicContact CG-CG 4.49Å; L687-R691 WeakPolarHBondContact O-CB 3.46Å; L687-R691 VanDerWaalsContact O-CG 3.31Å; L687-R691 WeakPolarHBondContact O-CG 3.14Å; L687-R691 PolarHBondContact O-N 3.12Å; L687-I705 HydrophobicContact CD1-CB 4.41Å; L687-I705 HydrophobicContact CD1-CD1 4.08Å; L687-I705 HydrophobicContact CD1-CG2 3.78Å
688	G	91.5	Very high	89.5	Confident	27 Å²	27	52.7 Å²	52.7	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-59	-48.4	173	0	0	0	0	0	112.2	R684 V685 K686 R691 S692	R684-G688 PolarHBondContact O-N 3.4Å; R684-G688 VanDerWaalsContact O-N 3.07Å; V685-G688 PolarHBondContact O-N 2.93Å; K686-G688 VanDerWaalsContact C-N 3.32Å; K686-G688 PolarHBondContact O-N 3.21Å; G688-R691 PolarHBondContact O-N 3.32Å; G688-S692 WeakPolarHBondContact O-CB 3.39Å; G688-S692 PolarHBondContact O-N 2.99Å
689	A	93.2	Very high	90.3	Very high	19 Å²	19	57.2 Å²	57.2	16%	0.157	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-45.2	177	0	0	0	0	0	112.5	L645 F649 V685 K686 S692 A693	L645-A689 HydrophobicContact CB-CB 3.67Å; L645-A689 HydrophobicContact CD1-CB 4.46Å; F649-A689 HydrophobicContact CD2-CB 4.35Å; F649-A689 HydrophobicContact CE2-CB 4.21Å; V685-A689 PolarHBondContact O-N 2.95Å; K686-A689 PolarHBondContact O-N 2.96Å; A689-S692 PolarHBondContact O-N 3.28Å; A689-A693 PolarHBondContact O-N 3.29Å
690	L	95.4	Very high	91	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-47.1	177.7	179.4	58.7	0	0	0	111.8	L597 F649 I653 I667 L669 K686 L687 S692 A693 C694 I705	L597-L690 HydrophobicContact CD1-CD1 4.22Å; F649-L690 HydrophobicContact CB-CD1 3.94Å; F649-L690 HydrophobicContact CD1-CD1 4.06Å; F649-L690 HydrophobicContact CD2-CB 3.76Å; F649-L690 HydrophobicContact CD2-CD1 4.02Å; F649-L690 HydrophobicContact CD2-CG 4.5Å; F649-L690 HydrophobicContact CE2-CB 3.78Å; F649-L690 HydrophobicContact CG-CB 4.38Å; F649-L690 HydrophobicContact CG-CD1 3.75Å; F649-L690 HydrophobicContact CZ-CB 4.42Å; I653-L690 HydrophobicContact CD1-CD1 4.31Å; I667-L690 HydrophobicContact CD1-CD1 4.07Å; I667-L690 HydrophobicContact CG2-CD2 4.14Å; L669-L690 HydrophobicContact CD1-CD2 4.04Å; K686-L690 PolarHBondContact O-N 2.85Å; L687-L690 PolarHBondContact O-N 2.81Å; L690-S692 VanDerWaalsContact C-N 3.29Å; L690-S692 PolarHBondContact O-N 3.19Å; L690-A693 WeakPolarHBondContact O-CB 3.27Å; L690-A693 PolarHBondContact O-N 2.9Å; L690-C694 PolarHBondContact O-N 3.32Å; L690-C694 PolarHBondContact O-SG 3.34Å; L690-C694 VanDerWaalsContact O-SG 3.35Å; L690-I705 HydrophobicContact CD2-CD1 3.9Å; L690-I705 HydrophobicContact CD2-CG1 4.28Å; L690-I705 HydrophobicContact CD2-CG2 3.83Å; L690-I705 HydrophobicContact CG-CD1 4.07Å
691	R	95.5	Very high	91.8	Very high	98 Å²	98	57 Å²	57	37%	0.37	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-37.6	176.3	-75.7	175.3	171.3	169.7	-2.1	112.2	L687 G688 R695 I705	L687-R691 HydrophobicContact CD1-CG 4.38Å; L687-R691 HydrophobicContact CG-CG 4.49Å; L687-R691 WeakPolarHBondContact O-CB 3.46Å; L687-R691 VanDerWaalsContact O-CG 3.31Å; L687-R691 WeakPolarHBondContact O-CG 3.14Å; L687-R691 PolarHBondContact O-N 3.12Å; G688-R691 PolarHBondContact O-N 3.32Å; R691-R695 WeakPolarHBondContact O-CG 3.47Å; R691-R695 PolarHBondContact O-N 3.01Å; R691-R695 VanDerWaalsContact O-N 3.07Å; R691-I705 HydrophobicContact CG-CD1 4.01Å
692	S	95	Very high	92.5	Very high	38 Å²	38	59.9 Å²	59.9	27%	0.266	29%	0.287	S	S	.	.	H	α-helix	trans	-66.6	-40.1	174.8	-178.1	0	0	0	0	112	K646 G688 A689 L690 R695 S696	K646-S692 VanDerWaalsContact CE-OG 3.3Å; K646-S692 WeakPolarHBondContact CE-OG 3.36Å; G688-S692 WeakPolarHBondContact O-CB 3.39Å; G688-S692 PolarHBondContact O-N 2.99Å; A689-S692 PolarHBondContact O-N 3.28Å; L690-S692 VanDerWaalsContact C-N 3.29Å; L690-S692 PolarHBondContact O-N 3.19Å; S692-R695 PolarHBondContact O-N 3.18Å; S692-S696 WeakPolarHBondContact O-CB 3.44Å; S692-S696 PolarHBondContact O-N 2.63Å
693	A	96.1	Very high	93.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-47.5	174.9	0	0	0	0	0	111.2	K646 F649 L650 I653 A689 L690 R695 S696	K646-A693 HydrophobicContact CG-CB 4.15Å; K646-A693 WeakPolarHBondContact O-CB 3.41Å; F649-A693 HydrophobicContact CB-CB 3.87Å; L650-A693 HydrophobicContact CB-CB 4.27Å; I653-A693 HydrophobicContact CD1-CB 4.38Å; A689-A693 PolarHBondContact O-N 3.29Å; L690-A693 WeakPolarHBondContact O-CB 3.27Å; L690-A693 PolarHBondContact O-N 2.9Å; A693-R695 PolarHBondContact O-N 3.08Å; A693-S696 PolarHBondContact O-N 3.24Å; A693-S696 PolarHBondContact O-OG 3.27Å
694	C	97.4	Very high	93.6	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-57.8	-52	175.9	-62.1	0	0	0	0	111.9	L690 S696 L697 Y701	L690-C694 PolarHBondContact O-N 3.32Å; L690-C694 PolarHBondContact O-SG 3.34Å; L690-C694 VanDerWaalsContact O-SG 3.35Å; C694-S696 PolarHBondContact O-N 3.42Å; C694-L697 WeakPolarHBondContact O-CB 3.16Å; C694-L697 PolarHBondContact O-N 2.92Å; C694-L697 VanDerWaalsContact O-N 3.09Å; C694-Y701 HydrophobicContact CB-CD1 3.64Å; C694-Y701 HydrophobicContact CB-CE1 3.85Å; C694-Y701 WeakPolarHBondContact O-CD1 3.36Å
695	R	96.3	Very high	94.1	Very high	110 Å²	110	57.8 Å²	57.8	42%	0.415	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-25.5	-178.8	-71	-168.9	-60.6	-95.3	0.5	114	R691 S692 A693 L697 N698 E699	R691-R695 WeakPolarHBondContact O-CG 3.47Å; R691-R695 PolarHBondContact O-N 3.01Å; R691-R695 VanDerWaalsContact O-N 3.07Å; S692-R695 PolarHBondContact O-N 3.18Å; A693-R695 PolarHBondContact O-N 3.08Å; R695-L697 PolarHBondContact O-N 3.27Å; R695-N698 WeakPolarHBondContact CA-O 3.43Å; R695-N698 CarbonylContact O-C 3.56Å; R695-N698 PolarHBondContact O-N 3.09Å; R695-E699 PolarHBondContact O-N 3.33Å
696	S	95.8	Very high	94.5	Very high	62 Å²	62	58.3 Å²	58.3	43%	0.434	30%	0.3	S	S	.	.	H	α-helix	trans	-68.2	-20.7	175.9	71.8	0	0	0	0	113.8	S692 A693 C694	S692-S696 WeakPolarHBondContact O-CB 3.44Å; S692-S696 PolarHBondContact O-N 2.63Å; A693-S696 PolarHBondContact O-N 3.24Å; A693-S696 PolarHBondContact O-OG 3.27Å; C694-S696 PolarHBondContact O-N 3.42Å
697	L	94.3	Very high	94.6	Very high	47 Å²	47	60.2 Å²	60.2	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-83.2	-33.3	174	-68.3	171.3	0	0	0	112.8	L650 I653 M654 R663 C694 R695 Y701	L650-L697 HydrophobicContact CD1-CD1 3.91Å; L650-L697 HydrophobicContact CD1-CD2 3.51Å; L650-L697 HydrophobicContact CD1-CG 3.52Å; I653-L697 HydrophobicContact CB-CD1 4.36Å; I653-L697 HydrophobicContact CG2-CD1 3.44Å; I653-L697 VanDerWaalsContact CG2-CD1 3.44Å; M654-L697 HydrophobicContact CG-CD2 4.12Å; M654-L697 HydrophobicContact SD-CD2 4.39Å; R663-L697 PolarHBondContact NH2-O 2.86Å; R663-L697 VanDerWaalsContact NH2-O 3.08Å; C694-L697 WeakPolarHBondContact O-CB 3.16Å; C694-L697 PolarHBondContact O-N 2.92Å; C694-L697 VanDerWaalsContact O-N 3.09Å; R695-L697 PolarHBondContact O-N 3.27Å; L697-Y701 HydrophobicContact CD1-CD1 4.41Å; L697-Y701 HydrophobicContact CD1-CE1 4.37Å
698	N	93.1	Very high	94.6	Very high	66 Å²	66	62 Å²	62	35%	0.353	32%	0.319	S	S	.	.			trans	-172.4	130.8	174.6	176.4	-30.2	0	0	0	106.9	R663 R695 E700 Y701	R663-N698 VanDerWaalsContact NH1-CB 3.28Å; R695-N698 WeakPolarHBondContact CA-O 3.43Å; R695-N698 CarbonylContact O-C 3.56Å; R695-N698 PolarHBondContact O-N 3.09Å; N698-E700 PolarHBondContact O-N 2.57Å; N698-E700 WeakPolarHBondContact OD1-CB 3.18Å; N698-E700 PolarHBondContact OD1-N 3.1Å; N698-Y701 VanDerWaalsContact O-CB 3.3Å; N698-Y701 WeakPolarHBondContact O-CB 3.47Å; N698-Y701 PolarHBondContact O-N 2.89Å
699	E	94	Very high	94.4	Very high	159 Å²	159	63 Å²	63	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.2	-178.2	-66.3	-165.3	156.2	0	0	114.3	R695 Y701	R695-E699 PolarHBondContact O-N 3.33Å; E699-Y701 VanDerWaalsContact C-N 3.33Å
700	E	95.6	Very high	94.2	Very high	167 Å²	167	64.1 Å²	64.1	78%	0.78	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.3	176.8	-59.3	-178.3	166.3	0	0	112.8	N698 R702	N698-E700 PolarHBondContact O-N 2.57Å; N698-E700 WeakPolarHBondContact OD1-CB 3.18Å; N698-E700 PolarHBondContact OD1-N 3.1Å; E700-R702 PolarHBondContact O-N 2.88Å
701	Y	97.2	Very high	93.7	Very high	28 Å²	28	69 Å²	69	11%	0.11	35%	0.346	C	S	.	.			trans	-73.7	95.8	-179.3	-178.3	-131	0	0	0	111.4	I653 R663 P664 C694 L697 N698 E699 P703	I653-Y701 HydrophobicContact CG2-CE1 4.25Å; R663-Y701 HydrophobicContact CB-CE2 4.03Å; P664-Y701 WeakPolarHBondContact CD-OH 3.5Å; P664-Y701 VanDerWaalsContact O-CE2 3.3Å; P664-Y701 WeakPolarHBondContact O-CE2 3.41Å; P664-Y701 PolarHBondContact O-OH 3.25Å; C694-Y701 HydrophobicContact CB-CD1 3.64Å; C694-Y701 HydrophobicContact CB-CE1 3.85Å; C694-Y701 WeakPolarHBondContact O-CD1 3.36Å; L697-Y701 HydrophobicContact CD1-CD1 4.41Å; L697-Y701 HydrophobicContact CD1-CE1 4.37Å; N698-Y701 VanDerWaalsContact O-CB 3.3Å; N698-Y701 WeakPolarHBondContact O-CB 3.47Å; N698-Y701 PolarHBondContact O-N 2.89Å; E699-Y701 VanDerWaalsContact C-N 3.33Å; Y701-P703 HydrophobicContact CE1-CG 4.14Å; Y701-P703 HydrophobicContact CE2-CB 3.93Å; Y701-P703 HydrophobicContact CE2-CG 3.88Å
702	R	95.7	Very high	93.3	Very high	198 Å²	198	70.1 Å²	70.1	75%	0.747	35%	0.354	S	S	*	.			trans	-124.9	71	-179	-61.5	-176.5	-179.3	-158.7	2.3	110.7	E700	E700-R702 PolarHBondContact O-N 2.88Å
703	P	96.6	Very high	92.7	Very high	17 Å²	17	79.9 Å²	79.9	11%	0.11	39%	0.385	C	S	.	.			trans	-63.1	154.9	178.9	30.1	-36.1	0	0	0	110.7	G665 I667 Y701 I705	G665-P703 WeakPolarHBondContact O-CB 3.45Å; I667-P703 HydrophobicContact CD1-CG 3.82Å; I667-P703 HydrophobicContact CG1-CB 4.36Å; I667-P703 HydrophobicContact CG1-CG 4.15Å; Y701-P703 HydrophobicContact CE1-CG 4.14Å; Y701-P703 HydrophobicContact CE2-CB 3.93Å; Y701-P703 HydrophobicContact CE2-CG 3.88Å; P703-I705 PolarHBondContact O-N 2.94Å
704	G	94.9	Very high	92.3	Very high	46 Å²	46	84.5 Å²	84.5	47%	0.474	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	131.8	169	0	0	0	0	0	110.1	Q666 I667	Q666-G704 CarbonylContact C-O 3.17Å; Q666-G704 VanDerWaalsContact CA-O 3.32Å; Q666-G704 WeakPolarHBondContact CA-O 3.24Å; I667-G704 PolarHBondContact N-O 2.8Å
705	I	94.9	Very high	92.1	Very high	48 Å²	48	86.9 Å²	86.9	25%	0.246	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.5	-179	-61	169.7	0	0	0	109.7	I667 L687 L690 R691 P703	I667-I705 HydrophobicContact CB-CG1 4.37Å; I667-I705 CarbonylContact O-C 3.51Å; I667-I705 WeakPolarHBondContact O-CA 3.17Å; L687-I705 HydrophobicContact CD1-CB 4.41Å; L687-I705 HydrophobicContact CD1-CD1 4.08Å; L687-I705 HydrophobicContact CD1-CG2 3.78Å; L690-I705 HydrophobicContact CD2-CD1 3.9Å; L690-I705 HydrophobicContact CD2-CG1 4.28Å; L690-I705 HydrophobicContact CD2-CG2 3.83Å; L690-I705 HydrophobicContact CG-CD1 4.07Å; R691-I705 HydrophobicContact CG-CD1 4.01Å; P703-I705 PolarHBondContact O-N 2.94Å
706	T	93	Very high	92	Very high	79 Å²	79	82.4 Å²	82.4	49%	0.485	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.6	168.7	-58.4	0	0	0	0	108.7	I667 I668 L669 V708	I667-T706 PolarHBondContact O-N 3.08Å; I668-T706 CarbonylContact C-O 3.58Å; I668-T706 WeakPolarHBondContact CA-O 3.29Å; L669-T706 PolarHBondContact N-O 2.79Å; T706-V708 HydrophobicContact CG2-CG2 4.06Å
707	Y	90.7	Very high	92	Very high	42 Å²	42	83.6 Å²	83.6	17%	0.165	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.1	179.6	-170.8	-80.1	0	0	0	109.9	L669 R671 V682 L683 K686 V709	L669-Y707 HydrophobicContact CB-CD2 4.36Å; L669-Y707 HydrophobicContact CD1-CD2 4.29Å; L669-Y707 HydrophobicContact CD1-CE2 4.22Å; L669-Y707 HydrophobicContact CD2-CD2 3.67Å; L669-Y707 HydrophobicContact CD2-CE2 3.39Å; L669-Y707 HydrophobicContact CD2-CG 4.48Å; L669-Y707 HydrophobicContact CG-CD2 4.32Å; L669-Y707 HydrophobicContact CG-CE2 4.34Å; R671-Y707 HydrophobicContact CB-CE1 4.5Å; R671-Y707 WeakPolarHBondContact CB-OH 3.24Å; V682-Y707 WeakPolarHBondContact CG1-OH 3.42Å; L683-Y707 HydrophobicContact CD1-CD1 3.61Å; L683-Y707 HydrophobicContact CD1-CD2 4.12Å; L683-Y707 HydrophobicContact CD1-CE1 3.97Å; L683-Y707 HydrophobicContact CD1-CE2 4.46Å; L683-Y707 HydrophobicContact CD1-CG 3.7Å; K686-Y707 HydrophobicContact CB-CE2 4.02Å; K686-Y707 WeakPolarHBondContact CD-OH 3.26Å; Y707-V709 HydrophobicContact CD1-CG2 4.13Å; Y707-V709 HydrophobicContact CE1-CG2 3.54Å
708	V	90.8	Very high	92	Very high	49 Å²	49	83.1 Å²	83.1	30%	0.297	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.5	-176.4	-174.8	0	0	0	0	109.1	L669 F670 R671 T706 V710	L669-V708 PolarHBondContact O-N 3.09Å; F670-V708 CarbonylContact C-O 3.58Å; F670-V708 WeakPolarHBondContact CA-O 3.14Å; F670-V708 HydrophobicContact CD1-CB 3.76Å; F670-V708 HydrophobicContact CD1-CG1 3.78Å; F670-V708 HydrophobicContact CD1-CG2 4.35Å; F670-V708 HydrophobicContact CE1-CB 3.99Å; F670-V708 HydrophobicContact CE1-CG1 3.88Å; F670-V708 HydrophobicContact CE1-CG2 4.13Å; F670-V708 HydrophobicContact CG-CB 4.49Å; R671-V708 PolarHBondContact N-O 2.81Å; T706-V708 HydrophobicContact CG2-CG2 4.06Å; V708-V710 HydrophobicContact CG1-CG2 4.26Å
709	V	87.4	Confident	92.1	Very high	47 Å²	47	81.7 Å²	81.7	29%	0.285	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.5	168.1	-177.4	0	0	0	0	108.7	R671 V674 F679 Y707	R671-V709 WeakPolarHBondContact O-CA 3.44Å; V674-V709 HydrophobicContact CB-CG1 4.44Å; F679-V709 HydrophobicContact CD1-CG1 4.16Å; F679-V709 HydrophobicContact CE1-CG1 3.5Å; F679-V709 VanDerWaalsContact CE1-CG1 3.5Å; F679-V709 HydrophobicContact CZ-CB 4.44Å; F679-V709 HydrophobicContact CZ-CG1 3.68Å; Y707-V709 HydrophobicContact CD1-CG2 4.13Å; Y707-V709 HydrophobicContact CE1-CG2 3.54Å
710	V	89	Confident	92.3	Very high	43 Å²	43	74.4 Å²	74.4	26%	0.261	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.4	179.2	-174.2	0	0	0	0	108.5	F670 R671 V708 K712	F670-V710 HydrophobicContact CB-CG2 4.36Å; F670-V710 HydrophobicContact CD1-CG2 3.82Å; R671-V710 PolarHBondContact O-N 3.16Å; V708-V710 HydrophobicContact CG1-CG2 4.26Å; V710-K712 HydrophobicContact CG1-CD 4.49Å; V710-K712 HydrophobicContact CG1-CG 4.02Å
711	Q	85.6	Confident	92.3	Very high	102 Å²	102	71.6 Å²	71.6	48%	0.477	34%	0.338	S	S	.	.			trans	-100.5	119.7	169	-71.6	-173.3	-24.4	0	0	110	F679	F679-Q711 HydrophobicContact CZ-CG 3.91Å
712	K	86.8	Confident	92.3	Very high	123 Å²	123	74.1 Å²	74.1	54%	0.535	35%	0.354	S	S	.	.			trans	-108.9	167.8	175.7	-67.8	-178.9	-113.5	171.3	0	110.8	D672 V710 H714	D672-K712 VanDerWaalsContact CG-NZ 3.29Å; D672-K712 WeakPolarHBondContact OD1-CE 3.29Å; D672-K712 IonicContact OD1-NZ 3.96Å; D672-K712 WeakPolarHBondContact OD2-CE 3.35Å; D672-K712 IonicContact OD2-NZ 3.66Å; D672-K712 PolarHBondContact OD2-NZ 3.19Å; V710-K712 HydrophobicContact CG1-CD 4.49Å; V710-K712 HydrophobicContact CG1-CG 4.02Å; K712-H714 VanDerWaalsContact C-N 3.27Å; K712-H714 PolarHBondContact O-N 3.04Å
713	R	82.5	Confident	92.1	Very high	242 Å²	242	70.1 Å²	70.1	91%	0.913	34%	0.344	S	S	*	.	S	Bend	trans	61.7	29.4	174.6	-48.9	177.2	-172.7	130.6	3.1	114.1
714	H	87.4	Confident	92	Very high	97 Å²	97	74 Å²	74	45%	0.449	37%	0.371	S	S	.	.			trans	-70.2	169.1	171.3	57.5	75.7	0	0	0	111.8	K712 A716 R717	K712-H714 VanDerWaalsContact C-N 3.27Å; K712-H714 PolarHBondContact O-N 3.04Å; H714-A716 PolarHBondContact CE1-O 3.01Å; H714-A716 VanDerWaalsContact CE1-O 3.32Å; H714-A716 WeakPolarHBondContact ND1-CB 3.43Å; H714-A716 PolarHBondContact ND1-N 2.98Å; H714-A716 PolarHBondContact ND1-O 2.78Å; H714-A716 VanDerWaalsContact ND1-O 3.17Å; H714-R717 VanDerWaalsContact O-CZ 3.29Å; H714-R717 PolarHBondContact O-NH1 2.88Å; H714-R717 PolarHBondContact O-NH2 3.18Å
715	H	92.3	Very high	92	Very high	53 Å²	53	74.2 Å²	74.2	25%	0.245	36%	0.358	C	S	.	.	S	Bend	trans	-95	-5.6	176.9	-77.6	-78.6	0	0	0	114.2	N35 F211 N225 D227 R717	N35-H715 PolarHBondContact ND2-O 3.43Å; F211-H715 HydrophobicContact CD1-CB 3.71Å; F211-H715 AromaticContact CD1-CD2 3.84Å; F211-H715 AromaticContact CD1-CG 3.52Å; F211-H715 AromaticContact CD1-ND1 3.87Å; F211-H715 AromaticContact CD2-CD2 3.66Å; F211-H715 AromaticContact CD2-CE1 3.87Å; F211-H715 AromaticContact CD2-NE2 3.53Å; F211-H715 HydrophobicContact CE1-CB 3.55Å; F211-H715 AromaticContact CE1-CD2 3.63Å; F211-H715 AromaticContact CE1-CG 3.57Å; F211-H715 AromaticContact CE2-CD2 3.44Å; F211-H715 VanDerWaalsContact CE2-CD2 3.44Å; F211-H715 WeakPolarHBondContact CE2-CD2 3.13Å; F211-H715 AromaticContact CE2-NE2 3.66Å; F211-H715 HydrophobicContact CG-CB 4.48Å; F211-H715 AromaticContact CG-CD2 3.86Å; F211-H715 AromaticContact CG-CE1 3.83Å; F211-H715 AromaticContact CG-CG 3.81Å; F211-H715 AromaticContact CG-ND1 3.81Å; F211-H715 AromaticContact CG-NE2 3.9Å; F211-H715 HydrophobicContact CZ-CB 4.19Å; F211-H715 AromaticContact CZ-CD2 3.42Å; F211-H715 VanDerWaalsContact CZ-CD2 3.42Å; F211-H715 WeakPolarHBondContact CZ-CD2 3.31Å; F211-H715 AromaticContact CZ-CG 3.89Å; N225-H715 PolarHBondContact OD1-O 3.02Å; D227-H715 HydrophobicContact CB-CB 4.09Å; D227-H715 IonicContact OD2-CE1 2.93Å; D227-H715 IonicContact OD2-CG 3.88Å; D227-H715 IonicContact OD2-ND1 3.16Å; D227-H715 PolarHBondContact OD2-ND1 3.39Å; H715-R717 PolarHBondContact O-N 3.2Å
716	A	94.2	Very high	92.1	Very high	16 Å²	16	73.1 Å²	73.1	13%	0.132	36%	0.356	C	S	.	.			trans	-61.1	124.7	171.5	0	0	0	0	0	110.8	F36 N225 H714 F718	F36-A716 HydrophobicContact CE2-CB 3.61Å; F36-A716 HydrophobicContact CZ-CB 3.85Å; N225-A716 PolarHBondContact ND2-N 3.24Å; H714-A716 PolarHBondContact CE1-O 3.01Å; H714-A716 VanDerWaalsContact CE1-O 3.32Å; H714-A716 WeakPolarHBondContact ND1-CB 3.43Å; H714-A716 PolarHBondContact ND1-N 2.98Å; H714-A716 PolarHBondContact ND1-O 2.78Å; H714-A716 VanDerWaalsContact ND1-O 3.17Å; A716-F718 HydrophobicContact CB-CE2 4.1Å; A716-F718 HydrophobicContact CB-CZ 4.23Å
717	R	95.2	Very high	92.2	Very high	87 Å²	87	71.2 Å²	71.2	33%	0.328	34%	0.344	S	S	.	.			trans	-130.1	149.6	178.1	-62.3	-67	174.3	-89.2	-10.4	108.8	S34 N35 D227 H714 H715	S34-R717 CarbonylContact C-O 3.54Å; S34-R717 WeakPolarHBondContact CA-O 3.42Å; N35-R717 HydrophobicContact CB-CB 4.33Å; N35-R717 PolarHBondContact N-O 2.94Å; N35-R717 VanDerWaalsContact N-O 3.08Å; N35-R717 PolarHBondContact OD1-N 3.1Å; N35-R717 PolarHBondContact OD1-O 2.65Å; D227-R717 IonicContact OD2-NH2 2.96Å; H714-R717 VanDerWaalsContact O-CZ 3.29Å; H714-R717 PolarHBondContact O-NH1 2.88Å; H714-R717 PolarHBondContact O-NH2 3.18Å; H715-R717 PolarHBondContact O-N 3.2Å
718	F	95.9	Very high	92.3	Very high	36 Å²	36	72.1 Å²	72.1	16%	0.158	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146	-176.5	-56.8	-80.1	0	0	0	109.6	L32 V33 A716 M733 I739 V743	L32-F718 HydrophobicContact CD1-CB 4.44Å; V33-F718 WeakPolarHBondContact O-CA 3.37Å; A716-F718 HydrophobicContact CB-CE2 4.1Å; A716-F718 HydrophobicContact CB-CZ 4.23Å; F718-M733 HydrophobicContact CB-SD 4.01Å; F718-M733 HydrophobicContact CD2-CE 4.33Å; F718-I739 HydrophobicContact CB-CD1 4.21Å; F718-I739 HydrophobicContact CD1-CD1 3.29Å; F718-I739 HydrophobicContact CD2-CD1 3.58Å; F718-I739 HydrophobicContact CE1-CD1 3.35Å; F718-I739 HydrophobicContact CE2-CD1 3.66Å; F718-I739 HydrophobicContact CG-CD1 3.4Å; F718-I739 HydrophobicContact CZ-CD1 3.54Å; F718-V743 HydrophobicContact CE1-CG2 3.78Å; F718-V743 HydrophobicContact CZ-CG2 3.91Å
719	M	95.2	Very high	92.3	Very high	36 Å²	36	79.9 Å²	79.9	18%	0.177	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.1	172.7	64.2	-175.7	-145.9	0	0	109.9	L32 V33 A367 P368 L371 K721	L32-M719 CarbonylContact C-O 3.48Å; L32-M719 VanDerWaalsContact CA-O 3.23Å; L32-M719 WeakPolarHBondContact CA-O 3.44Å; V33-M719 HydrophobicContact CB-CE 3.89Å; V33-M719 HydrophobicContact CB-CG 3.86Å; V33-M719 HydrophobicContact CG1-CE 4.14Å; V33-M719 HydrophobicContact CG2-CE 4.16Å; V33-M719 PolarHBondContact N-O 3.33Å; V33-M719 PolarHBondContact O-N 3.31Å; A367-M719 HydrophobicContact CB-CB 3.99Å; P368-M719 HydrophobicContact CB-SD 4.44Å; L371-M719 HydrophobicContact CB-SD 3.72Å; L371-M719 HydrophobicContact CD2-CE 3.29Å; L371-M719 HydrophobicContact CD2-CG 4.37Å; L371-M719 HydrophobicContact CD2-SD 3.32Å; L371-M719 WeakPolarHBondContact CD2-SD 3.5Å; L371-M719 HydrophobicContact CG-SD 4.12Å; M719-K721 PolarHBondContact O-N 2.9Å
720	C	97.4	Very high	92.6	Very high	7 Å²	7	78.6 Å²	78.6	5%	0.047	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	128.6	174.3	-58.5	0	0	0	0	109.4	D722 A726	C720-D722 VanDerWaalsContact C-N 3.3Å; C720-D722 WeakPolarHBondContact CB-O 3.5Å; C720-A726 HydrophobicContact CB-CB 4.31Å
721	K	96.2	Very high	92.9	Very high	107 Å²	107	80 Å²	80	47%	0.465	39%	0.393	S	S	.	.	S	Bend	trans	-65.8	-40.1	171.5	-175.8	173.9	177.4	173.1	0	110.5	H31 V33 E402 M719	H31-K721 HydrophobicContact CB-CB 4.16Å; H31-K721 HydrophobicContact CB-CD 4.41Å; H31-K721 WeakPolarHBondContact O-CB 3.47Å; H31-K721 PolarHBondContact O-N 3.01Å; V33-K721 HydrophobicContact CG2-CB 4.07Å; V33-K721 HydrophobicContact CG2-CG 4.26Å; E402-K721 WeakPolarHBondContact OE1-CE 3.27Å; E402-K721 IonicContact OE1-NZ 3.72Å; E402-K721 PolarHBondContact OE1-NZ 3.07Å; E402-K721 IonicContact OE2-NZ 2.75Å; E402-K721 PolarHBondContact OE2-NZ 3.01Å; M719-K721 PolarHBondContact O-N 2.9Å
722	D	95.8	Very high	93.3	Very high	82 Å²	82	79.7 Å²	79.7	44%	0.439	40%	0.395	S	S	.	.	S	Bend	trans	-89.8	106.5	167.8	176.9	4.1	0	0	0	109.5	C720 S724 R725	C720-D722 VanDerWaalsContact C-N 3.3Å; C720-D722 WeakPolarHBondContact CB-O 3.5Å; D722-S724 PolarHBondContact O-N 2.62Å; D722-S724 VanDerWaalsContact OD1-CB 3.28Å; D722-S724 WeakPolarHBondContact OD1-CB 3.32Å; D722-S724 PolarHBondContact OD1-N 2.66Å; D722-S724 PolarHBondContact OD1-OG 2.86Å; D722-S724 PolarHBondContact OD2-OG 2.99Å; D722-R725 HydrophobicContact CB-CG 4.46Å; D722-R725 PolarHBondContact O-N 2.61Å
723	E	93.1	Very high	93.7	Very high	113 Å²	113	77.3 Å²	77.3	53%	0.528	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-61.6	-23.2	-179.3	-66.1	-159.8	-179.2	0	0	113.2	R725 A726 R731	E723-R725 PolarHBondContact O-N 3.47Å; E723-A726 WeakPolarHBondContact O-CB 3.31Å; E723-A726 PolarHBondContact O-N 2.66Å; E723-R731 IonicContact OE1-NH1 3.81Å; E723-R731 PolarHBondContact OE1-NH1 3.48Å; E723-R731 IonicContact OE2-NH1 3.81Å; E723-R731 PolarHBondContact OE2-NH1 3.07Å
724	S	95	Very high	94.4	Very high	99 Å²	99	66.4 Å²	66.4	69%	0.692	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22.2	178.6	76.3	0	0	0	0	112.9	D722	D722-S724 PolarHBondContact O-N 2.62Å; D722-S724 VanDerWaalsContact OD1-CB 3.28Å; D722-S724 WeakPolarHBondContact OD1-CB 3.32Å; D722-S724 PolarHBondContact OD1-N 2.66Å; D722-S724 PolarHBondContact OD1-OG 2.86Å; D722-S724 PolarHBondContact OD2-OG 2.99Å
725	R	94.9	Very high	94.8	Very high	50 Å²	50	64.2 Å²	64.2	19%	0.189	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-89.1	-5	175.8	-59.3	-162	66.9	-171.3	-2.2	113.7	E28 K29 I30 D722 E723 P734	E28-R725 IonicContact OE1-CZ 2.65Å; E28-R725 IonicContact OE1-NE 3.27Å; E28-R725 IonicContact OE1-NH1 2.76Å; E28-R725 PolarHBondContact OE1-NH1 2.98Å; E28-R725 IonicContact OE1-NH2 3.66Å; E28-R725 PolarHBondContact OE1-NH2 3.23Å; E28-R725 IonicContact OE2-CZ 3.36Å; E28-R725 IonicContact OE2-NH2 3.62Å; E28-R725 PolarHBondContact OE2-NH2 3.49Å; K29-R725 PolarHBondContact O-NH1 3.44Å; I30-R725 VanDerWaalsContact CB-NH1 3.35Å; I30-R725 HydrophobicContact CD1-CB 4.24Å; D722-R725 HydrophobicContact CB-CG 4.46Å; D722-R725 PolarHBondContact O-N 2.61Å; E723-R725 PolarHBondContact O-N 3.47Å; R725-P734 WeakPolarHBondContact O-CG 3.35Å
726	A	95.7	Very high	94.9	Very high	25 Å²	25	63.7 Å²	63.7	21%	0.207	36%	0.355	C	S	.	.			trans	-74.8	143.4	179.4	0	0	0	0	0	111.2	C720 E723 R731 N732	C720-A726 HydrophobicContact CB-CB 4.31Å; E723-A726 WeakPolarHBondContact O-CB 3.31Å; E723-A726 PolarHBondContact O-N 2.66Å; A726-R731 HydrophobicContact CB-CB 3.87Å; A726-N732 WeakPolarHBondContact CA-O 3.26Å
727	V	94.9	Very high	95	Very high	39 Å²	39	64.2 Å²	64.2	24%	0.236	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-113.1	130.3	-169.6	-179.6	0	0	0	0	112	N428 N732 P734	N428-V727 HydrophobicContact CB-CG1 3.74Å; N428-V727 VanDerWaalsContact CG-CG1 3.44Å; N428-V727 WeakPolarHBondContact OD1-CG2 2.95Å; V727-N732 PolarHBondContact N-O 3Å; V727-N732 PolarHBondContact O-N 3.31Å; V727-N732 VanDerWaalsContact O-N 3.13Å; V727-P734 HydrophobicContact CG2-CB 4.27Å; V727-P734 HydrophobicContact CG2-CG 4.06Å
728	G	93	Very high	95.1	Very high	62 Å²	62	62.3 Å²	62.3	64%	0.639	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	-175.2	172.8	0	0	0	0	0	114.2	G730 R731	G728-G730 PolarHBondContact O-N 2.77Å; G728-R731 PolarHBondContact O-N 3.32Å
729	K	91.9	Very high	95	Very high	211 Å²	211	61.6 Å²	61.6	92%	0.917	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.5	-177.3	-66.4	-174.1	177	-174.6	0	114	R731	K729-R731 VanDerWaalsContact C-N 3.27Å
730	G	92.6	Very high	94.8	Very high	21 Å²	21	60.5 Å²	60.5	22%	0.216	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.9	177.2	0	0	0	0	0	114	D366 A367 G728 N732	D366-G730 VanDerWaalsContact CA-O 3.27Å; D366-G730 WeakPolarHBondContact CA-O 3.24Å; D366-G730 VanDerWaalsContact CB-O 3.32Å; D366-G730 WeakPolarHBondContact CB-O 3.42Å; A367-G730 PolarHBondContact N-O 2.9Å; G728-G730 PolarHBondContact O-N 2.77Å; G730-N732 PolarHBondContact O-N 3.5Å
731	R	95.5	Very high	94.4	Very high	71 Å²	71	62.4 Å²	62.4	27%	0.268	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	44.5	-173.5	-60.7	-168.9	-75.6	178	-6.5	111.8	D366 P368 E723 A726 G728 K729	D366-R731 HydrophobicContact CB-CB 4.35Å; D366-R731 HydrophobicContact CB-CG 4.4Å; D366-R731 VanDerWaalsContact CG-NH2 3.33Å; D366-R731 IonicContact OD1-CZ 3.38Å; D366-R731 IonicContact OD1-NE 3.64Å; D366-R731 PolarHBondContact OD1-NE 3.24Å; D366-R731 IonicContact OD1-NH2 3.85Å; D366-R731 PolarHBondContact OD1-NH2 3.23Å; D366-R731 IonicContact OD2-NE 2.7Å; D366-R731 IonicContact OD2-NH2 2.74Å; D366-R731 PolarHBondContact OD2-NH2 3.04Å; P368-R731 HydrophobicContact CG-CB 4.49Å; E723-R731 IonicContact OE1-NH1 3.81Å; E723-R731 PolarHBondContact OE1-NH1 3.48Å; E723-R731 IonicContact OE2-NH1 3.81Å; E723-R731 PolarHBondContact OE2-NH1 3.07Å; A726-R731 HydrophobicContact CB-CB 3.87Å; G728-R731 PolarHBondContact O-N 3.32Å; K729-R731 VanDerWaalsContact C-N 3.27Å
732	N	94.7	Very high	94.1	Very high	96 Å²	96	62.3 Å²	62.3	51%	0.513	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-78.5	159	-177	-69.7	-47.8	0	0	0	111.1	A726 V727 G730	A726-N732 WeakPolarHBondContact CA-O 3.26Å; V727-N732 PolarHBondContact N-O 3Å; V727-N732 PolarHBondContact O-N 3.31Å; V727-N732 VanDerWaalsContact O-N 3.13Å; G730-N732 PolarHBondContact O-N 3.5Å
733	M	95.2	Very high	93.8	Very high	73 Å²	73	59.2 Å²	59.2	36%	0.36	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-58.7	146.9	164.7	61.1	-171.9	165.1	0	0	111.2	L32 F718 T737	L32-M733 HydrophobicContact CD2-CB 4.47Å; F718-M733 HydrophobicContact CB-SD 4.01Å; F718-M733 HydrophobicContact CD2-CE 4.33Å; M733-T737 HydrophobicContact CB-CG2 4.38Å; M733-T737 HydrophobicContact CG-CG2 4.43Å; M733-T737 HydrophobicContact SD-CG2 3.77Å
734	P	95.9	Very high	93.6	Very high	14 Å²	14	54 Å²	54	9%	0.091	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-53.6	146.4	174.9	-25.7	34.2	0	0	0	112.6	I30 V407 R725 V727 G736 T737	I30-P734 HydrophobicContact CD1-CG 4.15Å; V407-P734 HydrophobicContact CG1-CB 3.96Å; V407-P734 HydrophobicContact CG2-CB 4.06Å; V407-P734 HydrophobicContact CG2-CG 4.11Å; R725-P734 WeakPolarHBondContact O-CG 3.35Å; V727-P734 HydrophobicContact CG2-CB 4.27Å; V727-P734 HydrophobicContact CG2-CG 4.06Å; P734-G736 PolarHBondContact O-N 3.31Å; P734-T737 WeakPolarHBondContact O-CB 3.44Å; P734-T737 PolarHBondContact O-N 3.39Å; P734-T737 PolarHBondContact O-OG1 2.97Å
735	A	95.8	Very high	92.8	Very high	51 Å²	51	50.8 Å²	50.8	42%	0.421	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	137.7	171.3	0	0	0	0	0	110
736	G	95.5	Very high	91.6	Very high	41 Å²	41	49.9 Å²	49.9	42%	0.423	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	1.3	-172.7	0	0	0	0	0	114	L408 P734 V738	L408-G736 PolarHBondContact N-O 2.84Å; P734-G736 PolarHBondContact O-N 3.31Å; G736-V738 PolarHBondContact O-N 3.46Å
737	T	96.5	Very high	90.3	Very high	27 Å²	27	52.3 Å²	52.3	17%	0.166	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	125.8	168.3	-65.5	0	0	0	0	110.9	I30 L32 R406 M733 P734 I739	I30-T737 HydrophobicContact CG2-CG2 4.34Å; L32-T737 HydrophobicContact CD1-CG2 3.7Å; R406-T737 CarbonylContact O-C 3.51Å; R406-T737 VanDerWaalsContact O-CA 3.26Å; R406-T737 WeakPolarHBondContact O-CA 3.37Å; M733-T737 HydrophobicContact CB-CG2 4.38Å; M733-T737 HydrophobicContact CG-CG2 4.43Å; M733-T737 HydrophobicContact SD-CG2 3.77Å; P734-T737 WeakPolarHBondContact O-CB 3.44Å; P734-T737 PolarHBondContact O-N 3.39Å; P734-T737 PolarHBondContact O-OG1 2.97Å; T737-I739 HydrophobicContact CG2-CG1 4.35Å
738	V	95.5	Very high	88.9	Confident	48 Å²	48	51.5 Å²	51.5	29%	0.291	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.6	173.6	176.7	0	0	0	0	108.4	G405 R406 L408 G736	G405-V738 CarbonylContact C-O 3.58Å; G405-V738 WeakPolarHBondContact CA-O 3.47Å; R406-V738 PolarHBondContact N-O 3.12Å; R406-V738 PolarHBondContact O-N 2.89Å; L408-V738 HydrophobicContact CD1-CG2 3.61Å; L408-V738 HydrophobicContact CG-CG2 3.82Å; G736-V738 PolarHBondContact O-N 3.46Å
739	I	94.1	Very high	87.6	Confident	21 Å²	21	54.9 Å²	54.9	11%	0.108	30%	0.296	C	S	.	.			trans	-124.8	112.9	175.1	-63.7	172.8	0	0	0	105.9	L32 V403 F718 T737 V743	L32-I739 HydrophobicContact CD1-CD1 3.45Å; L32-I739 VanDerWaalsContact CD1-CD1 3.45Å; L32-I739 HydrophobicContact CD1-CG1 3.68Å; V403-I739 HydrophobicContact CG1-CG2 3.39Å; F718-I739 HydrophobicContact CB-CD1 4.21Å; F718-I739 HydrophobicContact CD1-CD1 3.29Å; F718-I739 HydrophobicContact CD2-CD1 3.58Å; F718-I739 HydrophobicContact CE1-CD1 3.35Å; F718-I739 HydrophobicContact CE2-CD1 3.66Å; F718-I739 HydrophobicContact CG-CD1 3.4Å; F718-I739 HydrophobicContact CZ-CD1 3.54Å; T737-I739 HydrophobicContact CG2-CG1 4.35Å; I739-V743 HydrophobicContact CG2-CG2 4.2Å
740	D	90.7	Very high	86.4	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.07	28%	0.282	C	S	.	.			trans	-123.2	18.6	-178.5	58.2	-22.4	0	0	0	111.6	R20 Y23 G24 R406	R20-D740 PolarHBondContact NH1-O 3.36Å; Y23-D740 VanDerWaalsContact CD1-O 3.32Å; Y23-D740 WeakPolarHBondContact CD1-O 3.47Å; Y23-D740 VanDerWaalsContact CE1-O 3.28Å; Y23-D740 WeakPolarHBondContact CE1-O 3.43Å; G24-D740 PolarHBondContact N-OD2 3.35Å; R406-D740 IonicContact CZ-OD2 3.89Å; R406-D740 IonicContact NE-OD1 3.3Å; R406-D740 VanDerWaalsContact NH2-CG 3.28Å; R406-D740 IonicContact NH2-OD1 3.38Å; R406-D740 PolarHBondContact NH2-OD1 3.3Å; R406-D740 IonicContact NH2-OD2 3.01Å; R406-D740 PolarHBondContact NH2-OD2 3.49Å
741	H	89.3	Confident	86.1	Confident	46 Å²	46	51.9 Å²	51.9	21%	0.213	29%	0.285	C	S	.	.	S	Bend	trans	-137.6	161.3	-176.8	-63.9	78	0	0	0	111.6	Y23 V403 P404 V743	Y23-H741 AromaticContact CD1-CD2 3.54Å; Y23-H741 AromaticContact CD1-CE1 3.33Å; Y23-H741 WeakPolarHBondContact CD1-CE1 3.21Å; Y23-H741 AromaticContact CD1-CG 3.9Å; Y23-H741 AromaticContact CD1-ND1 3.77Å; Y23-H741 AromaticContact CD1-NE2 3.23Å; Y23-H741 WeakPolarHBondContact CD1-NE2 3.3Å; Y23-H741 AromaticContact CD2-NE2 3.81Å; Y23-H741 AromaticContact CE1-CD2 3.49Å; Y23-H741 VanDerWaalsContact CE1-CD2 3.49Å; Y23-H741 WeakPolarHBondContact CE1-CD2 3.47Å; Y23-H741 AromaticContact CE1-CG 3.93Å; Y23-H741 AromaticContact CE1-NE2 3.67Å; Y23-H741 AromaticContact CG-CE1 3.55Å; Y23-H741 AromaticContact CG-NE2 3.28Å; Y23-H741 VanDerWaalsContact CG-NE2 3.28Å; Y23-H741 AromaticContact CZ-CD2 3.94Å; V403-H741 WeakPolarHBondContact CG1-O 3.47Å; P404-H741 HydrophobicContact CG-CB 3.86Å; H741-V743 PolarHBondContact O-N 2.75Å
742	R	89.5	Confident	85.6	Confident	106 Å²	106	50.8 Å²	50.8	40%	0.4	29%	0.286	S	S	.	.	S	Bend	trans	66.8	-57.9	168.6	-54	-75	-103.2	-157.3	-3.4	115.7	E218 V401 V403	E218-R742 PolarHBondContact N-O 3.46Å; E218-R742 WeakPolarHBondContact OE2-CA 3.31Å; E218-R742 PolarHBondContact OE2-N 3.23Å; V401-R742 HydrophobicContact CG1-CB 4.36Å; V403-R742 HydrophobicContact CG1-CB 4.27Å; V403-R742 HydrophobicContact CG1-CG 4.46Å; V403-R742 HydrophobicContact CG2-CB 4.27Å
743	V	90.9	Very high	85	Confident	16 Å²	16	48.3 Å²	48.3	10%	0.097	27%	0.273	C	S	.	.	S	Bend	trans	-110.7	5.6	-171.1	-59.4	0	0	0	0	113.2	F36 L223 V401 V403 F718 I739 H741	F36-V743 HydrophobicContact CB-CG1 4.16Å; F36-V743 HydrophobicContact CD2-CB 4.05Å; F36-V743 HydrophobicContact CD2-CG1 3.9Å; F36-V743 HydrophobicContact CE2-CB 4.04Å; F36-V743 HydrophobicContact CE2-CG1 4.41Å; F36-V743 HydrophobicContact CE2-CG2 4.35Å; F36-V743 HydrophobicContact CG-CB 4.39Å; F36-V743 HydrophobicContact CG-CG1 4.03Å; F36-V743 HydrophobicContact CZ-CB 4.38Å; L223-V743 HydrophobicContact CD1-CB 4.24Å; L223-V743 HydrophobicContact CD1-CG1 4.01Å; V401-V743 HydrophobicContact CB-CG1 4.34Å; V401-V743 HydrophobicContact CG1-CG1 3.9Å; V403-V743 HydrophobicContact CG1-CG2 4.34Å; V403-V743 HydrophobicContact CG2-CG1 3.79Å; V403-V743 HydrophobicContact CG2-CG2 4.03Å; F718-V743 HydrophobicContact CE1-CG2 3.78Å; F718-V743 HydrophobicContact CZ-CG2 3.91Å; I739-V743 HydrophobicContact CG2-CG2 4.2Å; H741-V743 PolarHBondContact O-N 2.75Å
744	T	88.6	Confident	84.4	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.025	27%	0.268	C	S	.	.	S	Bend	trans	-77.9	160.3	170.7	58.4	0	0	0	0	110.2	G217 E218 D750	G217-T744 CarbonylContact C-O 3.54Å; G217-T744 WeakPolarHBondContact CA-O 3.48Å; E218-T744 PolarHBondContact N-O 2.66Å; T744-D750 VanDerWaalsContact CA-OD2 3.23Å; T744-D750 WeakPolarHBondContact CA-OD2 3.36Å; T744-D750 WeakPolarHBondContact CB-OD1 3.49Å; T744-D750 WeakPolarHBondContact CG2-O 3.49Å
745	S	78.6	Confident	83.7	Confident	32 Å²	32	48.9 Å²	48.9	22%	0.224	28%	0.279	C	S	.	.			trans	-53.4	153.1	172.9	65.3	0	0	0	0	112.1	G748 D750	S745-G748 WeakPolarHBondContact OG-CA 3.13Å; S745-G748 PolarHBondContact OG-N 2.85Å; S745-D750 WeakPolarHBondContact CA-OD1 3.4Å; S745-D750 VanDerWaalsContact CB-OD1 3.25Å; S745-D750 WeakPolarHBondContact CB-OD1 3.32Å; S745-D750 PolarHBondContact N-OD1 3.38Å; S745-D750 PolarHBondContact N-OD2 3.12Å; S745-D750 PolarHBondContact OG-OD1 3.28Å
746	A	69.9	Low	82.9	Confident	30 Å²	30	48.8 Å²	48.8	25%	0.248	27%	0.27	C	S	.	.	S	Bend	trans	-73.8	-27.5	-177.9	0	0	0	0	0	113	V216 Y220	V216-A746 HydrophobicContact CG1-CB 4.31Å; Y220-A746 HydrophobicContact CD1-CB 4.09Å; Y220-A746 HydrophobicContact CD2-CB 4.07Å; Y220-A746 HydrophobicContact CE1-CB 4.17Å; Y220-A746 HydrophobicContact CE2-CB 4.13Å; Y220-A746 HydrophobicContact CG-CB 4.06Å
747	D	66.8	Low	82	Confident	77 Å²	77	49.4 Å²	49.4	41%	0.412	26%	0.259	S	S	.	.	S	Bend	trans	-123.6	-3.5	-171.4	64.9	-29.7	0	0	0	114.1
748	G	65.2	Low	80.9	Confident	22 Å²	22	51.1 Å²	51.1	23%	0.227	27%	0.266	C	S	.	.	S	Bend	trans	-109	-170.3	-175.9	0	0	0	0	0	116.2	S745	S745-G748 WeakPolarHBondContact OG-CA 3.13Å; S745-G748 PolarHBondContact OG-N 2.85Å
749	Y	67.2	Low	79.7	Confident	133 Å²	133	51.3 Å²	51.3	52%	0.522	26%	0.264	S	S	.	.			trans	-111.7	11.6	-179.3	-83.5	-87.4	0	0	0	113.7	S18 A19 R20 P21	S18-Y749 WeakPolarHBondContact O-CE2 3.44Å; A19-Y749 PolarHBondContact O-OH 2.88Å; R20-Y749 WeakPolarHBondContact CA-OH 3.39Å; R20-Y749 HydrophobicContact CB-CD1 4.32Å; R20-Y749 HydrophobicContact CB-CE1 4.01Å; R20-Y749 HydrophobicContact CG-CD1 4.24Å; R20-Y749 HydrophobicContact CG-CE1 4Å; R20-Y749 VanDerWaalsContact NH2-C 3.27Å; R20-Y749 PolarHBondContact NH2-O 3.4Å; P21-Y749 WeakPolarHBondContact CD-OH 3.3Å
750	D	65.4	Low	78.4	Confident	116 Å²	116	54.1 Å²	54.1	62%	0.62	28%	0.278	S	S	*	.			trans	-57.7	0	-175.9	61.5	-41.3	0	0	0	114.8	R20 T744 S745	R20-D750 PolarHBondContact NH2-O 3Å; T744-D750 VanDerWaalsContact CA-OD2 3.23Å; T744-D750 WeakPolarHBondContact CA-OD2 3.36Å; T744-D750 WeakPolarHBondContact CB-OD1 3.49Å; T744-D750 WeakPolarHBondContact CG2-O 3.49Å; S745-D750 WeakPolarHBondContact CA-OD1 3.4Å; S745-D750 VanDerWaalsContact CB-OD1 3.25Å; S745-D750 WeakPolarHBondContact CB-OD1 3.32Å; S745-D750 PolarHBondContact N-OD1 3.38Å; S745-D750 PolarHBondContact N-OD2 3.12Å; S745-D750 PolarHBondContact OG-OD1 3.28Å

Retrieved 750 of 750 residues in 656.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).